10859 SMILES Strings for 5-hydroxytryptamine receptor 1A

Compound Name
SMILES String
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,wD:6.6,(13.36,-22.55,;12.59,-21.22,;13.36,-19.89,;14.89,-19.89,;15.67,-18.56,;17.21,-18.56,;17.97,-19.89,;19.51,-19.89,;20.29,-18.56,;21.83,-18.56,;22.59,-17.22,;24.13,-17.22,;24.9,-18.56,;24.13,-19.89,;22.59,-19.89,;26.44,-18.56,;27.34,-19.8,;28.81,-19.32,;28.81,-17.78,;29.95,-16.75,;29.63,-15.25,;28.16,-14.78,;27.02,-15.81,;27.34,-17.31,;17.21,-21.22,;15.67,-21.22,;11.05,-21.22,;10.15,-19.97,;8.68,-20.45,;8.68,-21.98,;10.15,-22.46,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:3.2,wD:6.6,(15.49,-22.15,;14.77,-20.77,;15.54,-19.44,;17.08,-19.44,;17.84,-18.11,;19.39,-18.11,;20.15,-19.44,;21.69,-19.44,;22.46,-18.11,;23.99,-18.11,;24.76,-19.44,;26.3,-19.44,;27.06,-18.11,;26.3,-16.77,;24.76,-16.77,;28.61,-18.11,;29.53,-19.33,;31.01,-18.87,;31.01,-17.34,;32.14,-16.31,;31.83,-14.78,;30.34,-14.31,;29.22,-15.34,;29.53,-16.88,;19.39,-20.77,;17.84,-20.77,;13.24,-20.67,;12.42,-19.38,;10.93,-19.79,;10.88,-21.34,;12.32,-21.9,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1 |r,wU:3.2,wD:6.6,(22.96,-24.14,;22.24,-22.76,;23.01,-21.42,;24.55,-21.42,;25.32,-20.09,;26.86,-20.09,;27.63,-21.42,;29.17,-21.42,;29.94,-20.09,;31.48,-20.09,;32.25,-21.42,;33.79,-21.42,;34.56,-20.09,;33.79,-18.75,;32.25,-18.75,;36.1,-20.09,;37.02,-21.32,;38.46,-20.86,;38.46,-19.32,;39.65,-18.3,;39.29,-16.8,;37.85,-16.29,;36.72,-17.32,;37.02,-18.86,;26.86,-22.76,;25.32,-22.76,;20.7,-22.66,;19.88,-21.38,;18.39,-21.79,;18.29,-23.33,;19.73,-23.89,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1 |r,wU:6.6,wD:3.2,(25.87,-26.54,;26.59,-25.21,;25.82,-23.88,;24.29,-23.88,;23.52,-22.54,;21.97,-22.54,;21.2,-23.88,;19.67,-23.88,;18.9,-22.54,;17.36,-22.54,;16.59,-23.88,;15.06,-23.88,;14.29,-22.54,;15.06,-21.21,;16.59,-21.21,;12.75,-22.54,;11.83,-23.78,;10.4,-23.31,;10.4,-21.77,;9.27,-20.75,;9.58,-19.21,;11.07,-18.75,;12.13,-19.78,;11.83,-21.26,;21.97,-25.21,;23.52,-25.21,;28.13,-25.11,;28.95,-23.83,;30.43,-24.24,;31.72,-23.36,;33.1,-24.08,;33.15,-25.62,;31.87,-26.44,;30.48,-25.77,;29.05,-26.29,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1 |r,wU:3.2,wD:6.6,(-5.89,-.2,;-5.89,1.34,;-4.56,2.11,;-3.22,1.34,;-1.89,2.11,;-.56,1.34,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-1.89,-.97,;-3.22,-.2,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2s1 |r,wU:3.2,wD:6.6,(-5.89,-.2,;-5.89,1.34,;-4.56,2.11,;-3.22,1.34,;-1.89,2.11,;-.56,1.34,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-1.89,-.97,;-3.22,-.2,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc(o1)C#N |r,wU:3.2,wD:6.6,(-5.54,.38,;-5.54,1.92,;-4.21,2.69,;-2.87,1.92,;-1.54,2.7,;-.21,1.92,;-.21,.38,;1.13,-.39,;2.46,.38,;3.8,-.39,;3.8,-1.93,;5.13,-2.7,;6.46,-1.93,;6.46,-.39,;5.13,.38,;7.8,-2.7,;7.8,-4.24,;9.26,-4.71,;10.17,-3.47,;11.7,-3.3,;12.32,-1.9,;11.42,-.65,;9.89,-.81,;9.26,-2.22,;-1.54,-.39,;-2.87,.38,;-6.87,2.69,;-6.87,4.23,;-8.34,4.71,;-9.36,3.46,;-8.34,2.22,;-10.9,3.46,;-12.44,3.45,)|
CC(C)(C)c1ccoc1C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:12.12,wD:15.16,(-5.84,3.88,;-7.33,4.27,;-7.72,5.76,;-6.24,5.36,;-8.41,3.18,;-9.88,3.66,;-10.78,2.41,;-9.88,1.17,;-8.41,1.64,;-7.08,.87,;-7.08,-.67,;-5.75,1.64,;-4.41,.87,;-3.08,1.64,;-1.75,.87,;-1.75,-.67,;-.41,-1.44,;.92,-.67,;2.26,-1.44,;2.26,-2.98,;3.59,-3.75,;4.92,-2.98,;4.92,-1.44,;3.59,-.67,;6.26,-3.75,;6.26,-5.29,;7.72,-5.76,;8.63,-4.52,;10.16,-4.35,;10.78,-2.95,;9.88,-1.7,;8.35,-1.86,;7.72,-3.27,;-3.08,-1.44,;-4.41,-.67,)|
Cc1ccc([nH]1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,wD:12.13,(-11.55,3.46,;-10.01,3.46,;-9.11,4.71,;-7.64,4.23,;-7.64,2.69,;-9.11,2.22,;-6.31,1.92,;-6.31,.38,;-4.98,2.69,;-3.64,1.92,;-2.31,2.7,;-.98,1.92,;-.98,.38,;.36,-.39,;1.69,.38,;3.03,-.39,;3.03,-1.93,;4.36,-2.7,;5.69,-1.93,;5.69,-.39,;4.36,.38,;7.03,-2.7,;7.03,-4.24,;8.49,-4.71,;9.4,-3.47,;10.93,-3.3,;11.55,-1.9,;10.65,-.65,;9.12,-.81,;8.49,-2.22,;-2.31,-.39,;-3.64,.38,)|
CC(=O)c1ccc(o1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,wD:14.15,(-11.94,2.09,;-11.17,3.42,;-11.94,4.75,;-9.63,3.42,;-8.72,4.67,;-7.26,4.19,;-7.26,2.65,;-8.72,2.18,;-5.93,1.88,;-5.93,.34,;-4.59,2.65,;-3.26,1.88,;-1.92,2.65,;-.59,1.88,;-.59,.34,;.74,-.43,;2.08,.34,;3.41,-.43,;3.41,-1.97,;4.74,-2.74,;6.08,-1.97,;6.08,-.43,;4.74,.34,;7.41,-2.74,;7.41,-4.28,;8.88,-4.75,;9.78,-3.51,;11.31,-3.35,;11.94,-1.94,;11.03,-.7,;9.5,-.86,;8.88,-2.26,;-1.92,-.43,;-3.26,.34,)|
Cc1ccsc1C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,wD:12.13,(-7.08,4.86,;-8.41,4.09,;-9.88,4.56,;-10.78,3.32,;-9.88,2.07,;-8.41,2.55,;-7.08,1.78,;-7.08,.24,;-5.75,2.55,;-4.41,1.78,;-3.08,2.55,;-1.75,1.78,;-1.75,.24,;-.41,-.53,;.92,.24,;2.26,-.53,;2.26,-2.07,;3.59,-2.84,;4.92,-2.07,;4.92,-.53,;3.59,.24,;6.26,-2.84,;6.26,-4.38,;7.72,-4.86,;8.63,-3.61,;10.16,-3.45,;10.78,-2.04,;9.88,-.8,;8.35,-.96,;7.72,-2.37,;-3.08,-.53,;-4.41,.24,)|
Brc1ccsc1C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,wD:12.13,(-7.08,4.86,;-8.41,4.09,;-9.88,4.56,;-10.78,3.32,;-9.88,2.07,;-8.41,2.55,;-7.08,1.78,;-7.08,.24,;-5.75,2.55,;-4.41,1.78,;-3.08,2.55,;-1.75,1.78,;-1.75,.24,;-.41,-.53,;.92,.24,;2.26,-.53,;2.26,-2.07,;3.59,-2.84,;4.92,-2.07,;4.92,-.53,;3.59,.24,;6.26,-2.84,;6.26,-4.38,;7.72,-4.86,;8.63,-3.61,;10.16,-3.45,;10.78,-2.04,;9.88,-.8,;8.35,-.96,;7.72,-2.37,;-3.08,-.53,;-4.41,.24,)|
CCc1c(sc2ccccc12)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:14.15,wD:17.19,(-7.08,6.4,;-7.08,4.86,;-8.41,4.09,;-8.41,2.55,;-9.88,2.07,;-10.78,3.32,;-12.32,3.48,;-12.94,4.89,;-12.04,6.13,;-10.51,5.97,;-9.88,4.56,;-7.08,1.78,;-7.08,.24,;-5.75,2.55,;-4.41,1.78,;-3.08,2.55,;-1.75,1.78,;-1.75,.24,;-.41,-.53,;.92,.24,;2.26,-.53,;2.26,-2.07,;3.59,-2.84,;4.92,-2.07,;4.92,-.53,;3.59,.24,;6.26,-2.84,;6.26,-4.38,;7.72,-4.86,;8.63,-3.61,;10.16,-3.45,;10.78,-2.04,;9.88,-.8,;8.35,-.96,;7.72,-2.37,;-3.08,-.53,;-4.41,.24,)|
Clc1c(sc2ccccc12)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:13.14,wD:16.18,(-7.08,4.86,;-8.41,4.09,;-8.41,2.55,;-9.88,2.07,;-10.78,3.32,;-12.32,3.48,;-12.94,4.89,;-12.04,6.13,;-10.51,5.97,;-9.88,4.56,;-7.08,1.78,;-7.08,.24,;-5.75,2.55,;-4.41,1.78,;-3.08,2.55,;-1.75,1.78,;-1.75,.24,;-.41,-.53,;.92,.24,;2.26,-.53,;2.26,-2.07,;3.59,-2.84,;4.92,-2.07,;4.92,-.53,;3.59,.24,;6.26,-2.84,;6.26,-4.38,;7.72,-4.86,;8.63,-3.61,;10.16,-3.45,;10.78,-2.04,;9.88,-.8,;8.35,-.96,;7.72,-2.37,;-3.08,-.53,;-4.41,.24,)|
[O-][N+](=O)c1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:15.16,wD:18.20,(-10.47,6.68,;-11.24,5.34,;-12.78,5.34,;-10.47,4.01,;-11.2,2.63,;-10.43,1.29,;-8.89,1.29,;-7.86,.15,;-6.46,.78,;-6.62,2.31,;-8.12,2.63,;-8.89,3.96,;-5.12,.01,;-5.12,-1.53,;-3.79,.78,;-2.45,.01,;-1.12,.78,;.21,.01,;.21,-1.53,;1.55,-2.3,;2.88,-1.53,;4.21,-2.3,;4.21,-3.84,;5.55,-4.61,;6.88,-3.84,;6.88,-2.3,;5.55,-1.53,;8.22,-4.61,;8.22,-6.15,;9.68,-6.63,;10.58,-5.38,;12.12,-5.22,;12.74,-3.82,;11.84,-2.57,;10.31,-2.73,;9.68,-4.14,;-1.12,-2.3,;-2.45,-1.53,)|
COc1ccc2oc(cc2c1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:14.15,wD:17.19,(-12.74,5.96,;-11.2,5.96,;-10.43,4.63,;-11.2,3.3,;-10.43,1.96,;-8.89,1.96,;-7.86,.82,;-6.46,1.44,;-6.62,2.97,;-8.12,3.3,;-8.89,4.63,;-5.12,.67,;-5.12,-.87,;-3.79,1.44,;-2.45,.67,;-1.12,1.44,;.21,.67,;.21,-.87,;1.55,-1.64,;2.88,-.87,;4.21,-1.64,;4.21,-3.18,;5.55,-3.95,;6.88,-3.18,;6.88,-1.64,;5.55,-.87,;8.22,-3.95,;8.22,-5.49,;9.68,-5.96,;10.58,-4.72,;12.12,-4.56,;12.74,-3.15,;11.84,-1.9,;10.31,-2.06,;9.68,-3.47,;-1.12,-1.64,;-2.45,-.87,)|
O=C(Cc1cccs1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,wD:12.13,(-6.35,1.05,;-6.35,2.59,;-7.69,3.36,;-9.02,2.59,;-9.5,4.05,;-11.04,4.05,;-11.51,2.59,;-10.27,1.68,;-5.02,3.36,;-3.69,2.59,;-2.35,3.36,;-1.02,2.59,;-1.02,1.05,;.32,.28,;1.65,1.05,;2.98,.28,;2.98,-1.26,;4.32,-2.03,;5.65,-1.26,;5.65,.28,;4.32,1.05,;6.98,-2.03,;6.98,-3.57,;8.45,-4.05,;9.35,-2.8,;10.89,-2.64,;11.51,-1.24,;10.61,.01,;9.08,-.15,;8.45,-1.56,;-2.35,.28,;-3.69,1.05,)|
O=C(Cc1coc2ccccc12)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:13.14,wD:16.18,(-5.33,.76,;-5.33,2.3,;-6.67,3.07,;-8,2.3,;-8,.76,;-9.47,.28,;-10.37,1.53,;-11.9,1.69,;-12.53,3.09,;-11.62,4.34,;-10.09,4.18,;-9.47,2.77,;-4,3.07,;-2.67,2.3,;-1.33,3.07,;,2.3,;,.76,;1.33,-.01,;2.67,.76,;4,-.01,;4,-1.55,;5.33,-2.32,;6.67,-1.55,;6.67,-.01,;5.33,.76,;8,-2.32,;8,-3.86,;9.47,-4.34,;10.37,-3.09,;11.9,-2.93,;12.53,-1.53,;11.62,-.28,;10.09,-.44,;9.47,-1.85,;-1.33,-.01,;-2.67,.76,)|
O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,6.6,(25.23,-30.94,;25.94,-29.6,;25.17,-28.27,;23.64,-28.27,;22.87,-26.94,;21.34,-26.94,;20.57,-28.27,;19.03,-28.27,;18.26,-26.94,;16.72,-26.94,;15.95,-28.27,;14.41,-28.27,;13.64,-26.94,;14.41,-25.61,;15.95,-25.61,;12.17,-26.94,;11.25,-28.17,;9.81,-27.71,;9.81,-26.17,;8.64,-25.15,;8.99,-23.61,;10.43,-23.15,;11.55,-24.17,;11.25,-25.66,;21.34,-29.6,;22.87,-29.6,;27.48,-29.5,;28.3,-28.22,;29.79,-28.63,;29.89,-30.17,;28.45,-30.68,)|
O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:3.2,6.6,(-7.08,.38,;-7.08,1.92,;-5.75,2.69,;-4.41,1.92,;-4.41,.38,;-3.08,-.39,;-1.75,.38,;-.41,-.39,;.92,.38,;2.26,-.39,;2.26,-1.93,;3.59,-2.7,;4.92,-1.93,;4.92,-.39,;3.59,.38,;6.26,-2.7,;6.26,-4.24,;7.72,-4.71,;8.63,-3.47,;10.16,-3.3,;10.78,-1.9,;9.88,-.65,;8.35,-.81,;7.72,-2.22,;-1.75,1.92,;-3.08,2.7,;-8.41,2.69,;-8.41,4.23,;-9.88,4.71,;-10.78,3.46,;-9.88,2.22,)|
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O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1 |r,wU:3.2,6.6,(-5.89,-.2,;-5.89,1.34,;-4.56,2.11,;-3.22,1.34,;-3.22,-.2,;-1.89,-.97,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-.56,1.34,;-1.89,2.11,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|
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O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccccc1 |r,wU:3.2,wD:6.6,(50.44,-29.19,;50.04,-27.71,;51.06,-26.58,;52.54,-26.89,;53.62,-25.76,;55.11,-26.07,;55.56,-27.55,;57.05,-27.86,;58.13,-26.73,;59.62,-27.04,;60.07,-28.53,;61.61,-28.84,;62.64,-27.65,;62.13,-26.22,;60.64,-25.92,;64.13,-28.02,;64.74,-29.4,;66.28,-29.24,;66.59,-27.76,;67.92,-26.99,;67.92,-25.45,;66.59,-24.68,;65.25,-25.45,;65.25,-26.99,;54.55,-28.69,;53.06,-28.37,;48.55,-27.35,;47.47,-28.42,;45.98,-28.02,;44.98,-29.09,;45.27,-30.58,;46.75,-30.99,;47.88,-29.91,)|
O=C(NCCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:12.12,wD:15.16,(-4.93,1.39,;-4.93,2.93,;-6.26,3.7,;-7.6,2.93,;-8.93,3.7,;-10.27,2.93,;-11.6,3.7,;-12.93,2.93,;-12.93,1.39,;-11.6,.62,;-10.27,1.39,;-3.6,3.7,;-2.26,2.93,;-.93,3.7,;.4,2.93,;.4,1.39,;1.74,.62,;3.07,1.39,;4.4,.62,;4.4,-.92,;5.74,-1.69,;7.07,-.92,;7.07,.62,;5.74,1.39,;8.41,-1.69,;8.41,-3.23,;9.87,-3.7,;10.78,-2.46,;12.31,-2.3,;12.93,-.89,;12.03,.36,;10.5,.2,;9.87,-1.21,;-.93,.62,;-2.26,1.39,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1 |r,wU:3.2,wD:6.6,(15.23,-21.5,;14.88,-22.99,;15.9,-24.12,;17.39,-23.82,;17.85,-22.32,;19.4,-22.02,;20.42,-23.15,;21.91,-22.84,;22.94,-23.97,;24.43,-23.66,;24.95,-22.17,;26.43,-21.87,;27.46,-22.99,;27,-24.48,;25.45,-24.79,;28.95,-22.68,;29.62,-21.3,;31.1,-21.45,;31.47,-22.94,;32.8,-23.71,;32.8,-25.25,;31.47,-26.02,;30.13,-25.25,;30.13,-23.71,;19.91,-24.63,;18.42,-24.95,;13.38,-23.35,;12.25,-22.27,;10.76,-22.68,;9.75,-21.6,;10.16,-20.12,;11.58,-19.7,;12.67,-20.78,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccco1 |r,wU:3.2,wD:6.6,(-6.41,1.39,;-6.41,2.93,;-5.08,3.7,;-3.75,2.93,;-2.41,3.7,;-1.08,2.93,;-1.08,1.39,;.25,.62,;1.59,1.39,;2.92,.62,;2.92,-.92,;4.26,-1.69,;5.59,-.92,;5.59,.62,;4.26,1.39,;6.92,-1.69,;6.92,-3.23,;8.39,-3.7,;9.29,-2.46,;10.82,-2.3,;11.45,-.89,;10.55,.36,;9.01,.2,;8.39,-1.21,;-2.41,.62,;-3.75,1.39,;-7.75,3.7,;-9.08,2.93,;-10.55,3.41,;-11.45,2.16,;-10.55,.92,;-9.08,1.39,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cc2ccccc2s1 |r,wU:3.2,wD:6.6,(-5.08,.47,;-5.08,2.01,;-3.75,2.78,;-2.42,2.01,;-1.08,2.78,;.25,2.01,;.25,.47,;1.58,-.3,;2.92,.47,;4.25,-.3,;4.25,-1.84,;5.59,-2.61,;6.92,-1.84,;6.92,-.3,;5.59,.47,;8.25,-2.61,;8.25,-4.15,;9.72,-4.62,;10.62,-3.38,;12.15,-3.22,;12.78,-1.81,;11.87,-.56,;10.34,-.72,;9.72,-2.13,;-1.08,-.3,;-2.42,.47,;-6.42,2.78,;-7.75,2.01,;-8.23,3.48,;-9.77,3.48,;-10.8,4.62,;-12.3,4.3,;-12.78,2.84,;-11.75,1.69,;-10.24,2.01,;-9,1.11,)|
CN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1 |r,wU:5.4,wD:8.8,(19.37,-25.45,;20.19,-24.17,;21.74,-24.22,;22.46,-25.6,;22.51,-22.88,;24.05,-22.88,;24.83,-21.54,;26.37,-21.54,;27.14,-22.88,;28.69,-22.88,;29.46,-21.54,;31,-21.54,;31.77,-22.88,;33.32,-22.88,;34.09,-21.54,;33.32,-20.2,;31.77,-20.2,;35.63,-21.54,;36.56,-22.83,;38,-22.31,;38,-20.77,;39.12,-19.74,;38.76,-18.25,;37.38,-17.78,;36.25,-18.82,;36.56,-20.3,;26.37,-24.22,;24.83,-24.22,;19.53,-22.78,;20.35,-21.49,;19.63,-20.1,;18.09,-20.05,;17.26,-21.34,;17.98,-22.67,)|
CCCCN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1 |r,wU:8.7,wD:11.11,(-10.27,6.01,;-8.93,5.24,;-8.93,3.7,;-7.6,2.93,;-7.6,1.39,;-6.26,.62,;-6.26,-.92,;-4.93,1.39,;-3.6,.62,;-2.26,1.39,;-.93,.62,;-.93,-.92,;.4,-1.69,;1.74,-.92,;3.07,-1.69,;3.07,-3.23,;4.4,-4,;5.74,-3.23,;5.74,-1.69,;4.4,-.92,;7.07,-4,;7.07,-5.54,;8.54,-6.01,;9.44,-4.77,;10.97,-4.61,;11.6,-3.2,;10.69,-1.95,;9.16,-2.11,;8.54,-3.52,;-2.26,-1.69,;-3.6,-.92,;-8.93,.62,;-10.27,1.39,;-11.6,.62,;-11.6,-.92,;-10.27,-1.69,;-8.93,-.92,)|
CN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:5.4,wD:8.8,(-7.75,4.47,;-7.75,2.93,;-6.41,2.16,;-6.41,.62,;-5.08,2.93,;-3.75,2.16,;-2.41,2.93,;-1.08,2.16,;-1.08,.62,;.25,-.15,;1.59,.62,;2.92,-.15,;2.92,-1.69,;4.26,-2.46,;5.59,-1.69,;5.59,-.15,;4.26,.62,;6.92,-2.46,;6.92,-4,;8.39,-4.47,;9.29,-3.23,;10.82,-3.07,;11.45,-1.66,;10.55,-.41,;9.01,-.57,;8.39,-1.98,;-2.41,-.15,;-3.75,.62,;-9.08,2.16,;-10.55,2.64,;-11.45,1.39,;-10.55,.15,;-9.08,.62,)|
COc1cccc(NC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nsc4ccccc34)CC2)c1 |r,wU:11.10,wD:14.14,(-12.27,4.47,;-12.27,2.93,;-10.93,2.16,;-10.93,.62,;-9.6,-.15,;-8.27,.62,;-8.27,2.16,;-6.93,2.93,;-5.6,2.16,;-5.6,.62,;-4.26,2.93,;-2.93,2.16,;-1.6,2.93,;-.26,2.16,;-.26,.62,;1.07,-.15,;2.4,.62,;3.74,-.15,;3.74,-1.69,;5.07,-2.46,;6.41,-1.69,;6.41,-.15,;5.07,.62,;7.74,-2.46,;7.74,-4,;9.2,-4.47,;10.11,-3.23,;11.64,-3.07,;12.27,-1.66,;11.36,-.41,;9.83,-.57,;9.2,-1.98,;-1.6,-.15,;-2.93,.62,;-9.6,2.93,)|
[O-][N+](=O)c1cccc(NC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nsc4ccccc34)CC2)c1 |r,wU:12.11,wD:15.15,(-13,2.27,;-11.65,3.02,;-11.64,4.56,;-10.33,2.24,;-10.27,.62,;-8.93,-.15,;-7.6,.62,;-7.6,2.16,;-6.26,2.93,;-4.93,2.16,;-4.93,.62,;-3.6,2.93,;-2.26,2.16,;-.93,2.93,;.4,2.16,;.4,.62,;1.74,-.15,;3.07,.62,;4.4,-.15,;4.4,-1.69,;5.74,-2.46,;7.07,-1.69,;7.07,-.15,;5.74,.62,;8.41,-2.46,;8.41,-4,;9.87,-4.47,;10.78,-3.23,;12.31,-3.07,;12.93,-1.66,;12.03,-.41,;10.5,-.57,;9.87,-1.98,;-.93,-.15,;-2.26,.62,;-8.93,2.93,)|
O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,wD:14.15,(26.22,-29.78,;25.55,-28.45,;24.01,-28.34,;23.14,-29.63,;21.6,-29.58,;20.94,-28.19,;19.4,-28.09,;18.58,-29.42,;19.25,-30.75,;20.78,-30.86,;26.32,-27.12,;27.86,-27.12,;28.63,-25.78,;30.16,-25.78,;30.93,-27.12,;32.47,-27.12,;33.24,-25.78,;34.77,-25.78,;35.54,-27.12,;37.08,-27.12,;37.85,-25.78,;37.08,-24.45,;35.54,-24.45,;39.39,-25.78,;40.26,-27.02,;41.68,-26.55,;41.68,-25.01,;42.81,-23.99,;42.5,-22.45,;41.01,-21.99,;39.95,-23.02,;40.26,-24.5,;30.16,-28.45,;28.63,-28.45,)|
O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccccc1 |r,wU:3.2,6.6,(-6.26,1.39,;-6.26,2.93,;-4.93,3.7,;-3.6,2.93,;-3.6,1.39,;-2.26,.62,;-.93,1.39,;.4,.62,;1.74,1.39,;3.07,.62,;3.07,-.92,;4.4,-1.69,;5.74,-.92,;5.74,.62,;4.4,1.39,;7.07,-1.69,;7.07,-3.23,;8.54,-3.7,;9.44,-2.46,;10.97,-2.3,;11.6,-.89,;10.69,.36,;9.16,.2,;8.54,-1.21,;-.93,2.93,;-2.26,3.7,;-7.6,3.7,;-8.93,2.93,;-10.27,3.7,;-11.6,2.93,;-11.6,1.39,;-10.27,.62,;-8.93,1.39,)|
O=C(NCc1ccccc1)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,14.15,(-5.6,.24,;-5.6,1.78,;-6.93,2.55,;-8.27,1.78,;-9.6,2.55,;-9.6,4.09,;-10.93,4.86,;-12.27,4.09,;-12.27,2.55,;-10.93,1.78,;-4.26,2.55,;-2.93,1.78,;-2.93,.24,;-1.6,-.53,;-.26,.24,;1.07,-.53,;2.4,.24,;3.74,-.53,;3.74,-2.07,;5.07,-2.84,;6.41,-2.07,;6.41,-.53,;5.07,.24,;7.74,-2.84,;7.74,-4.38,;9.2,-4.86,;10.11,-3.61,;11.64,-3.45,;12.27,-2.04,;11.36,-.8,;9.83,-.96,;9.2,-2.37,;-.26,1.78,;-1.6,2.55,)|
O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccco1 |r,wU:3.2,6.6,(-6.41,1.39,;-6.41,2.93,;-5.08,3.7,;-3.75,2.93,;-3.75,1.39,;-2.41,.62,;-1.08,1.39,;.25,.62,;1.59,1.39,;2.92,.62,;2.92,-.92,;4.26,-1.69,;5.59,-.92,;5.59,.62,;4.26,1.39,;6.92,-1.69,;6.92,-3.23,;8.39,-3.7,;9.29,-2.46,;10.82,-2.3,;11.45,-.89,;10.55,.36,;9.01,.2,;8.39,-1.21,;-1.08,2.93,;-2.41,3.7,;-7.75,3.7,;-9.08,2.93,;-10.55,3.41,;-11.45,2.16,;-10.55,.92,;-9.08,1.39,)|
CN(C)C(=O)NC1CCC(CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |(,-4.62,;1.33,-5.39,;2.67,-4.62,;1.33,-6.93,;,-7.7,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;4,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;4,-16.17,;5.33,-16.94,;5.33,-18.48,;4,-19.25,;2.67,-18.48,;2.67,-16.94,;4,-20.79,;2.67,-21.56,;2.67,-23.1,;4,-23.87,;5.33,-23.1,;6.67,-23.87,;5.33,-21.56,;6.67,-20.79,;1.33,-11.55,;1.33,-10.01,)|
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)N3CCCCC3=O)c2c1
O=C1CCCCN1c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccc(cc3)N3CCCCC3=O)c2c1
O=C1CCCCN1c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)N3CCOCC3=O)c2c1
O=C1COCCN1c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccc(cc3)N3CCOCC3=O)c2c1
O=C1COCCN1c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1ccccn1-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)-n3ccccc3=O)c2c1
O=c1ccccn1-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccc(cc3)-n3ccccc3=O)c2c1
O=c1ccccn1-c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1ccccn1-c1ccc(cc1)N1CCN(CCCCCc2c[nH]c3ccc(cc23)C#N)CC1
OC(CCCN1CCN(CC1)c1ccc(cc1)-n1ccccc1=O)c1c[nH]c2ccc(cc12)C#N
OC(CCN1CCN(CC1)c1ccc(cc1)-n1ccccc1=O)c1c[nH]c2ccc(cc12)C#N
Cc1ccn(-c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Cc1ccn(-c2ccc(cc2)N2CCN(CCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Cc1ccn(-c2ccc(cc2)N2CCN(CCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Cc1ccn(-c2ccc(cc2)N2CCN(CCCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
COc1ccn(-c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
COc1ccn(-c2ccc(cc2)N2CCN(CCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
COc1ccn(-c2ccc(cc2)N2CCN(CCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
COc1ccn(-c2ccc(cc2)N2CCN(CCCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2ccccc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2ccccc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1cnccn1-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=c1cnccn1-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C1NCCCN1c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C1NCCCN1c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1cc(OC)nc(n1)N1CCN(CCCCc2c[nH]c3ccccc23)CC1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3nc(OC)cc(OC)n3)c2c1
COc1cc(OC)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(Cl)cc23)CC1
COc1cc(OC)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
COc1cc(OC)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccccc23)CC1
COc1ccc2[nH]cc(CCCN3CCN(CC3)c3nc(OC)cc(OC)n3)c2c1
COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1
COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
COc1cc(OC)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Cc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccccc23)CC1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3nc(C)cc(C)n3)c2c1
Cc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(Cl)cc23)CC1
Cc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Cc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Cc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccccc23)CC1
COc1ccc2[nH]cc(CCCN3CCN(CC3)c3nc(C)cc(C)n3)c2c1
Cc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1
Cc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Cc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)[N+]#[C-])CC1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3nccc(n3)C#N)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3nccc(n3)C#N)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3nccc(n3)C#N)c2c1
N#Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3nccc(n3)C#N)c2c1
NC(=O)c1ccnc(n1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
NC(=O)c1ccnc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1ccnc(n1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
NC(=O)c1ccnc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3nccc(n3)C(F)(F)F)c2c1
FC(F)(F)c1ccnc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3nccc(n3)C(F)(F)F)c2c1
FC(F)(F)c1ccnc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)[N+]#[C-])CC1
CCOC(=O)c1sc(nc1C)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CCOC(=O)c1sc(nc1C)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Cc1nc(sc1C(N)=O)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Cc1nc(sc1C(N)=O)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Cc1nc(sc1C(N)=O)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Cc1nc(sc1C(N)=O)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Cc1nc(sc1C#N)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
Cc1nc(sc1C#N)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Cc1nc(sc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Cc1nc(sc1C#N)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1ccccc1N1CCN(CCCCOc2ccc3OCC(=O)Nc3c2)CC1
Clc1cccc(N2CCN(CCCCOc3ccc4OCC(=O)Nc4c3)CC2)c1Cl
Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1cccc2SCCc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2SCCc12
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(=O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(F)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
O=C1Cc2cc(CCN3CCN(CC3)c3cccc4sccc34)ccc2N1
O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
O=c1ccc2ccc(CCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C=CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12 |c:4|
Cc1nc2c(OCc3ccccc3)cccn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2c(O)cccn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
O=C1CCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
Clc1cc2CCC(=O)Nc2cc1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2ccc(CCCCCN3CCN(CC3)c3cccc4sccc34)cc2c(=O)[nH]1
O=c1ccc2ccc(CCN3CCN(CC3)c3cccc4SCCc34)cc2[nH]1
Cc1ncsc1CCN1CCN(CC1)c1cccc2sccc12
O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
Cc1nc2n(CCCC2(F)F)c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2s1
O=C1COc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
O=C1CSc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
O=c1ccc2ccc(CCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
O=c1[nH]cnc2ccc(CCCCCN3CCN(CC3)c3cccc4sccc34)cc12
O=c1[nH]c(CCN2CCN(CC2)c2cccc3sccc23)nc2ccccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1cccc2sccc12
Clc1cc2NC(=O)Cc2cc1CCN1CCC(CC1)c1cccc2sccc12
O=C1Cc2c(N1)cccc2CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cncc2sccc12
Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1cncc2sccc12
O=c1ccc2ccc(CCN3CCN(CC3)c3cncc4sccc34)cc2[nH]1
Cc1nc2C(Cl)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3ccc(=O)[nH]c3c2)CC1
C(N1CCN(CC1)c1cccc2sccc12)c1nc2ccccc2[nH]1
C(Cc1ccc2ncsc2c1)N1CCN(CC1)c1cccc2sccc12
Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3CCC(=O)Nc3c2)CC1
Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)CCc3c2)CC1
Fc1cc2OCC(=O)Nc2cc1CCN1CCN(CC1)c1cccc2sccc12
O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2o1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4sccc34)c2c1
Fc1cc(CCCCN2CCN(CC2)c2cccc3sccc23)cc2NC(=O)COc12
Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)CCc3c2)CC1
Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3[nH]c(=O)[nH]c3c2)CC1
Fc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccsc2c1
Fc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)Cc3c2)CC1
Cc1nc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2c(=O)[nH]1
O=S1(=O)NCCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc12
O=C1Cc2cc(CCN3CCC(CC3)c3cccc4sccc34)ccc2N1
O=C1CCc2ccc(CCN3CCC(CC3)c3cccc4sccc34)cc2N1
Fc1cc(N2CCN(CCc3ccc4NC(=O)Cc4c3)CC2)c2ccsc2c1
Fc1cc(N2CCN(CCc3ccc4CCC(=O)Nc4c3)CC2)c2ccsc2c1
Cn1c2cc(CCN3CCN(CC3)c3cccc4sccc34)ccc2[nH]c1=O
Cn1c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2n(C)c1=O
Cn1c2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2[nH]c1=O
COc1cc2c(cccc2s1)N1CCN(CCc2ccc3NC(=O)CCc3c2)CC1
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cc(F)cc2sccc12
O=C1COc2ccc(CCN3CCC(CC3)c3cccc4sccc34)cc2N1
O=C1CCc2cc(CCN3CCC(CC3)c3cccc4sccc34)ccc2N1
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1cccc2sccc12
Fc1cc2c(cccc2s1)N1CCN(CCCCc2ccc3NC(=O)Cc3c2)CC1
Fc1cc(N2CCN(CCc3ccc4ccc(=O)[nH]c4c3)CC2)c2ccsc2c1
O=C1CCc2cc(CCCCN3CCC(CC3)c3cccc4sccc34)ccc2N1
COc1ccc2[nH]cc(CCN3CCN(CC3)c3cccc4sccc34)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4sccc34)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4sccc34)c2c1
N#Cc1ccc2[nH]cc(CCCN3CCN(CC3)c3cccc4sccc34)c2c1
N#Cc1ccc2[nH]cc(CCN3CCN(CC3)c3cccc4sccc34)c2c1
CC(=O)n1cc(CCCCN2CCN(CC2)c2cccc3sccc23)c2cc(ccc12)C#N
O=C1CCc2cc(CCCCN3CCN(CC3)c3cccc4sccc34)ccc2N1
O=C1Cc2cc(CCCCN3CCN(CC3)c3cccc4sccc34)ccc2N1
Fc1cc2c(cccc2s1)N1CCN(CCc2cc3CC(=O)Nc3cc2Cl)CC1
CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc12
CN1C(=O)CCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc12
Nc1nc2cc(CCN3CCN(CC3)c3cccc4sccc34)ccc2s1
Nc1nc2cccc(CCN3CCN(CC3)c3cccc4sccc34)c2s1
CC(=O)Nc1nc2cc(CCN3CCN(CC3)c3cccc4sccc34)ccc2s1
CC(=O)Nc1nc2cccc(CCN3CCN(CC3)c3cccc4sccc34)c2s1
Nc1nc2c(CCN3CCN(CC3)c3cccc4sccc34)cccc2s1
CC(=O)Nc1nc2c(CCN3CCN(CC3)c3cccc4sccc34)cccc2s1
CC(=O)N1CC(CCN2CCN(CC2)c2cccc3sccc23)c2ccccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sc(F)cc12
O=C1Nc2ccccc2OC1CCN1CCN(CC1)c1cccc2sccc12
S=C1CCc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2N1
O=C1N[C@@H]2CS[C@H](CCCCCN3CCN(CC3)c3cccc4sccc34)[C@@H]2N1
O=C1COc2ccc(CCCCN3CCN(CC3)c3cccc4sccc34)cc2N1
C(CCc1nnnn1C1CCCCC1)CN1CCN(CC1)c1cccc2sccc12
Fc1cc(CCN2CCN(CC2)c2cccc3sccc23)cc2NC(=O)COc12
COC(CN1CCN(CC1)c1cccc2sccc12)c1cccc2NC(=O)COc12
OC(CN1CCN(CC1)c1cccc2sccc12)c1ccc2NC(=O)Cc2c1
OC(CCCCN1CCN(CC1)c1cccc2sccc12)c1ccc2CCC(=O)Nc2c1
CC(=O)Nc1nc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2s1
Nc1nc2ccc(CCN3CCN(CC3)c3cccc4sccc34)cc2s1
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Oc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
[O-][N+](=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Clc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1C#N)NC1CCCc2ccccc12
NC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CS(=O)(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NC1CCCc2ccccc12
CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CC(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Fc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1ccccn1)NC1CCCc2ccccc12
[O-][n+]1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
CCCN(CCC)C1CCc2cccc(O)c2C1
NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCCNC1
O=c1n(CCN2CCN(CC2)c2ccccc2)c2ccccc2n1-c1ccccc1
Cc1ccccc1-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O |(-8.51,-1.07,;-10.03,-.82,;-11.01,-2.01,;-12.53,-1.76,;-13.07,-.32,;-12.09,.87,;-10.57,.62,;-9.66,1.86,;-10.13,3.38,;-11.54,4.01,;-11.7,5.54,;-10.46,6.45,;-9.05,5.82,;-8.89,4.29,;-7.64,3.33,;-6.31,4.1,;-4.97,3.33,;-3.64,4.1,;-3.64,5.64,;-2.31,6.41,;-.97,5.64,;-.97,4.1,;-2.31,3.32,;.36,6.41,;.36,7.95,;1.69,8.72,;3.03,7.95,;3.03,6.41,;1.69,5.64,;-8.12,1.86,;-7.21,.61,)|
COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3)c2=O)CC1
Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3C)c2=O)CC1 |(1.69,4.1,;1.69,5.64,;3.03,6.41,;3.03,7.95,;1.69,8.72,;.36,7.95,;.36,6.41,;-.97,5.64,;-2.31,6.41,;-3.64,5.64,;-3.64,4.1,;-4.97,3.33,;-6.31,4.1,;-7.64,3.33,;-8.89,4.29,;-9.05,5.82,;-10.46,6.45,;-11.7,5.54,;-11.54,4.01,;-10.13,3.38,;-9.66,1.86,;-10.57,.62,;-12.09,.87,;-13.07,-.32,;-12.53,-1.76,;-11.01,-2.01,;-10.03,-.82,;-8.51,-1.07,;-8.12,1.86,;-7.21,.61,;-2.31,3.32,;-.97,4.1,)|
COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2C)c1=O
COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2OC)c1=O
COc1ccc(cc1)-n1c2ccccc2n(CCCN2CCN(CC2)c2ccccc2OC)c1=O
COc1ccc(cc1)-n1c2ccccc2n(CCCCN2CCN(CC2)c2ccccc2OC)c1=O
O=c1[nH]c2ccccc2n1CCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
O=c1[nH]c2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCCn2c3ccccc3[nH]c2=O)CC1
Clc1cccc(c1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
Clc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCC2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)CCC1=O |(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.15,9.43,;-2.38,10.77,;-4.69,9.37,;-5.1,7.88,;-3.82,7.03,;-3.42,5.54,)|
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1
CC1(C)CC(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1 |(-6.78,6.79,;-5.69,7.88,;-6.78,8.97,;-4.97,9.24,;-3.43,9.3,;-2.66,10.63,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.34,6.63,;-2.57,5.3,;-4.88,6.58,)|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCCC2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)CCCC1=O |(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.43,9.3,;-2.66,10.63,;-4.97,9.24,;-5.69,7.88,;-4.88,6.58,;-3.34,6.63,;-2.57,5.3,)|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3=C(CCCC3)C2=O)CC1 |t:22|
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2=C(CCCC2)C1=O |t:28,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-4.98,7.22,;-6.32,6.45,;-7.65,7.21,;-7.65,8.75,;-6.32,9.53,;-3.52,6.74,;-3.12,5.25,)|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3CC=CCC3C2=O)CC1 |c:24|
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2CC=CCC2C1=O |c:30,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-6.32,9.53,;-7.65,8.75,;-7.65,7.21,;-6.32,6.45,;-4.98,7.22,;-3.52,6.74,;-3.12,5.25,)|
CC1=C(C)C(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1|
CC1=C(C)C(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1,(-6.6,7.5,;-5.1,7.88,;-4.69,9.37,;-5.77,10.47,;-3.15,9.43,;-2.38,10.77,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.82,7.03,;-3.82,5.49,)|
Cc1ccc(Cn2c(SCc3cccnc3)nc3n(C)c(=O)n(C)c(=O)c23)cc1
COc1cccc(c1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1
COc1nc(OC)nc(n1)N1CCC(CC1)C(=O)Nc1cccc2CCCCc12
COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)cc1
CN(C)CCNC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
CCOC(=O)Cc1c(C)c2ccc(cc2oc1=O)N(CC)CC
NC(Cc1ccc2nonc2c1)C(O)=O
COc1ccc(C(=O)N2CCCC(C2)c2nc(no2)-c2ccc(OC)c(OC)c2)c(OC)c1
CC(C)n1c2nc3ccccn3c(=O)c2cc(C(=O)NCCc2ccccc2)c1=N
CC(CN1CCCCC1)OC(=O)c1cc2ccccc2o1
CC1CCN(CC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
COCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
CCN(CC)c1ccc2c(C)c(CN3CCOCC3)c(=O)oc2c1
Cc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1
COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC1CCCO1
Cc1cccc(N2CCN(CC(=O)NCC3CCCCC3)CC2)c1C
CCOc1ccccc1C1C(=CN(C)C=C1C(=O)OC)C(=O)OC |c:11,15|
O=C(C1CCCN(C1)S(=O)(=O)Cc1ccccc1)N1CCN(CC1)C(=O)c1ccco1
CCNc1nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c2n1Cc1ccccc1
Cc1ncc(CO)c2COC(C)(C)Oc12
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O
COc1ccc(cc1)-c1cc(nc(n1)-n1nc(C)cc1C)C(F)F
Fc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1
Cc1ccc2[nH]c(=O)c(cc2c1)C(N(Cc1ccco1)Cc1cccnc1)c1nnnn1C1CCCC1
Cc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1
COc1ccccc1Nc1oc2cc(=O)ccc2cc1C(=O)NCC1CCCO1
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CC=C)c1=N
CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1ccc(OC)c(OC)c1)c1ccc(F)cc1
Fc1ccccc1C(OC(=O)c1ccco1)C(=O)NC1CCCC1
Cc1ccccc1Cn1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)-c2ccco2)n1
Fc1ccc(cc1)N(CC(=O)NC1CCCC1)C(=O)CSc1nnc(COc2ccccc2)o1
COc1ccc(cc1)C1CC(n2nc(cc2N1)C(=O)NCCN1CCOCC1)C(F)(F)F
C(c1ccccc1)n1nnc2c(Nc3ccc4OCOc4c3)nc(nc12)C1CC1
Clc1ccc2c(c1)nc[nH]c2=O
COc1ccc(OC)c(Nc2oc3cc(=O)ccc3cc2C(N)=O)c1
CCOC(=O)C1CCCN(CC(=O)NC2CC2)C1
Fc1ccc(cc1)C(=O)CCCN1Cc2ccccc2C1
Cc1ccc(cc1)S(=O)(=O)N1CCCSCC1
CC1CCN(CC1)C(=O)CSc1nc2cccnc2n1C
Nc1nonc1C(N=O)N1CCCC1
C(NC1CCCCCCC1)c1ccco1
CC(OC(=O)Cn1cnc2sc(C)c(C)c2c1=O)C(=O)NC(C)(C)C
Cn1ncc(N)c1C(=O)Nc1cccc(c1)C(F)(F)F
C(c1ccccc1)n1nnc2c(ncnc12)N1CCc2ccccc2C1
CC(C)C(N1CCN(CC1)C1CCCC1)c1nnnn1Cc1cccs1
COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1
Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1
CC1Oc2ccccc2N(CC(=O)N2CCCc3ccccc23)C1=O
CNCCc1c[nH]c2c1cccc2
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41|
Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
c1cc2c(cc1OC(F)(F)F)sc(n2)N
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(c56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
CN(C)CCc1c[nH]c2c1cc(cc2)OC
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36|
NC(=O)c1cc2ccc(=O)cc2oc1Nc1ccccc1
Nc1c(C#N)c2nc3ccccc3nc2n1C1CCCCC1
Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
CC(=C)c1nc(N)nc(N)n1
CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccccc1 |c:6|
CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccc(C)cc1 |c:6|
COC(=O)c1ccc(o1)-c1sc2nc(N3CCOCC3)c3CCCCc3c2c1N
OC(COc1ccccc1)Cn1c2ccccc2n(Cc2ccccc2)c1=N
CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r|
CCCCCCC1=Cc2c\c(=C3\NN\C(O3)=C3\C=CC=CC3=O)c(=O)oc2=CC1=O |c:18,20,29,t:6|
CN(C)\C=C1\C(Cc2nc(ccc2C1=O)N(C)C)c1ccccc1
Clc1ccc2nc(nc(-c3ccccc3)c2c1)N1CCNCC1
CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Cn1c(Cl)nc2n(C)c(=O)n(Cc3cccc(Br)c3)c(=O)c12
CCCCCCc1cc2cc(C(=O)NC)c(N)oc2cc1=O
COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
COc1cc(Cn2c(N)c(C#N)c3nc4ccccc4nc23)cc(OC)c1
CCCCc1ccc2[nH]cc(CCN)c2c1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1ncnc2CCCc12 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1
Cn1c2nc(Oc3ccc4OCOc4c3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O
Cc1[nH]c2ccccc2c1C(O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F
CC1(C)Cc2c(CO1)c(nc(NCCc1ccccc1)c2C#N)-c1ccco1
OC(CN1CCN(CC1)c1cccc(c1)C(F)(F)F)c1c[nH]c2ccccc12
CN1CCN(CC1)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CC=C
Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1cccc(Br)c1
Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1ccc(Cl)cc1
CC1(C)Cc2c(CO1)c(nc(NCc1ccco1)c2C#N)-c1ccco1
N=C1C(C#N)C(C#N)(C#N)C(N1c1ccccc1)c1ccco1
COc1ccc(cc1)N1CCN(CC(O)c2c[nH]c3ccc(OC)cc23)CC1C
Cc1cc(co1)-c1cc(nc(N)c1C#N)-c1ccc(Cl)cc1
CC1(C)Cc2c(CO1)c(nc1snc(N)c21)N1CCOCC1
CCCCOc1ccc(cc1OC)C1C2CN(CCC2=C(C#N)C(=N)C1(C#N)C#N)C(=O)OCC |t:21|
O=S(CCc1ccncc1)Cc1ccccc1
CCOC(=O)c1c(CN2CCCCC2)oc2ccc(OC)cc12
COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(n2)-n2[nH]c(=O)c(C)c2C)cc1
Cc1cc(C)n(Cc2ccc(o2)C(=O)NCCC2=CCCCC2)n1 |t:18|
CCCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1
Cc1nc2ccc(Br)cc2c(O)c1CN1CCCCC1
COCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 |t:13|
C1CN(CCO1)c1cc(ncn1)-n1cccn1
CCCCCCNC(=O)c1c(N)n(N=Cc2ccco2)c2nc3ccccc3nc12 |w:13.12|
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(CC1)c1ccccn1
COCCCNC(=O)c1c(N)n(N=Cc2cccs2)c2nc3ccccc3nc12 |w:12.11|
Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1CC1CCCO1
CN(C)CCCN1C(C(C(=O)c2ccc3OCCOc3c2)C(=O)C1=O)c1ccccn1
CCC(C)NC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
CC(=O)NCCN=Cc1sc2ccccc2c1O |w:6.5|
CCN(CC)CCN1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(OCC=C)c1
CCCNC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12
Cc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1
CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
CC(C)CCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
CCCNC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12
CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
CCCNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2OCOc2c1
COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
CC(C)OCCCn1c2nc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccncc1
CCCNc1oc(nc1C#N)-c1cccc2ccccc12
Nc1c(C(=O)NCc2ccc3OCOc3c2)c2nc3ccccc3nc2n1CCCN1CCOCC1
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCCc2ccccc12
CCC(C)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1
Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1
CC(C)n1c2cc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccco1
CCN1CCN(CC1)c1nc2n(C)c(=O)[nH]c(=O)c2n1CCCSc1ncccn1
CC(C)OCCCNC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12
Brc1ccc(cc1)C(=O)CN1CCN(Cc2ccccc2)CC1
CSCC[C@H](NC(=O)Nc1ccc(C)cc1C)C(O)=O
Cc1cc(C)n(n1)-c1nc(NCCO)c2c3CCCCc3sc2n1
CCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc12
Cc1ccc2nc3n(-c4nccs4)c(=O)c(cc3c(=O)n2c1)C#N
Cc1cc(no1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
CCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc12
Clc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
O=C(N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O)c1cccs1
COCCOC(=O)C1C(c2ccc(F)cc2)n2nc(C)nc2N=C1C |c:24|
O=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C#N
Cc1cc(no1)-n1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=O
CCCNC(=O)Nc1cc(C)on1
CSc1ncccc1C(=O)OCc1ccccc1F
COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
Cn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1
COc1ccc(OC)c(c1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccccc1
CCOC(=O)N1CCN(CC1)C1=Nc2cccc3cccc1c23 |t:12|
CN(C1CCCCC1)c1cc(=O)n2ccccc2n1
COCCN1C(=O)C(CC(=O)Nc2ccc(cc2)C(C)=O)SC1=Nc1ccccc1 |w:23.25|
CSc1ncccc1C(=O)OCC(=O)NC1CCS(=O)(=O)C1
CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
COC(=O)c1cc(c(C)o1)-c1c(C)oc2cc(O)ccc2c1=O |(3.08,-1.73,;4.61,-1.89,;5.52,-.64,;4.89,.76,;7.05,-.8,;8.08,.34,;9.49,-.29,;9.32,-1.82,;10.47,-2.85,;7.82,-2.14,;10.82,.48,;10.82,2.02,;9.49,2.79,;12.15,2.79,;13.49,2.02,;14.86,2.85,;16.26,2.06,;17.59,2.83,;16.26,.45,;14.86,-.34,;13.49,.48,;12.15,-.29,;12.15,-1.83,)|
CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1
CN(C)c1ccc(C=Nn2ncc3ccccc23)cc1 |w:8.8|
CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1OCC
O=C(Cc1cccs1)Nc1nc2ccccc2s1
COC(=O)c1cc(CC(=O)c2ccc(O)cc2O)c(C)o1
OC(COc1ccc2oc3ccccc3c2c1)CN1CCN(CC1)C(=O)c1ccco1
Fc1ccccc1N(CCC#N)C(=O)CN1C(=O)NC2(CCCC2)C1=O
CCOC(=O)c1sc2N=C3CCCC(=O)C3C(c3cccs3)c2c1C |t:8|
CCCCn1c2nc(-c3ccncc3)n(CCOC)c2c(=O)[nH]c1=O
CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12|
COc1cccc(c1)C(=O)Nc1ccc(C)cc1
Cc1c(-n2cc(cc(C#N)c2=O)C(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C |(1.29,6.71,;2.76,6.24,;4,7.14,;4,8.68,;5.33,9.45,;5.33,10.99,;4,11.76,;2.67,10.99,;1.33,11.76,;,12.53,;2.67,9.45,;1.33,8.68,;6.67,11.76,;8,10.99,;6.67,13.3,;5.33,14.07,;5.33,15.61,;6.67,16.38,;8,15.61,;8,14.07,;9.34,13.3,;5.25,6.24,;6.71,6.71,;4.77,4.77,;5.68,3.53,;5.05,2.12,;5.96,.87,;7.49,1.03,;8.11,2.44,;7.21,3.69,;3.23,4.77,;2.33,3.53,)|
O=C(Cc1c[nH]c2ccccc12)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
Cc1ccc(Oc2ccc(N)cc2)cc1
Fc1ccccc1N1CCN(CC1)c1ncnc2n[nH]cc12
CCn1c(C)nc2cc(ccc12)C(=O)OCCC(F)(F)F
Cc1cc(C(=O)CSc2nnc(o2)-c2ccco2)c(C)n1CC1COc2ccccc2O1
Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1C1CC1
Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
Cc1nnc(NCc2ccncc2)c2ccccc12
CC1(C)Cc2cccc(OCC(O)CN3CCN(CC3)c3ccccn3)c2O1
COc1cc(OC)nc(NC(=O)COC(=O)C2CCCCC2)n1
Clc1cc(c(Cl)s1)-c1csc(NC(=O)c2cccs2)n1
Cc1ccc(cc1)C(=O)OCc1cn2ccccc2n1
Oc1ccccc1C(=O)c1cnn(c1)-c1nc2ccccc2s1
Cc1sc2ncnc(Oc3ccc(cc3)-n3ccnc3)c2c1C
CCOC(=O)c1cc2cc(ccc2o1)-c1c(oc2cc(O)cc(O)c2c1=O)C(=O)OCC
O=c1[nH]nc(Sc2ncnc3sccc23)n1CCc1ccccc1
Cc1noc(NS(=O)(=O)c2ccc(cc2)-n2cc(O)c(c2N)-c2ccccc2)c1C
CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12
Brc1ccccc1-c1nnc(CSc2nncn2-c2ccccc2)o1
CCCCC(CC)Cn1c(N)c(C#N)c2nc3ccccc3nc12
Nc1c(NCc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1
COc1ccc(cc1)-c1nn(cc1C(=O)Nc1nc(CC(C)=O)ns1)-c1ccccc1
OC(=O)CCCNS(=O)(=O)c1cccs1
Cc1nn(Cc2ccccc2)c2sc(cc12)C(=O)NCc1cccnc1
Clc1ccccc1C(=NS(=O)(=O)c1cccs1)N1CCN(CC1)C(=O)c1ccco1 |w:8.9|
Clc1cccc(CN2CCNC2=O)c1
COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
CCOC(=O)CNC(=O)Cn1cnc2sc(C)c(c2c1=O)S(=O)(=O)N1CCC(C)CC1
Cc1ccc(Nc2oc3cc(=O)ccc3cc2C(N)=O)cc1
CCc1ccc(cc1)-c1nc(CN2CCCC(C2)C(=O)NCCc2ccc(OC)c(OC)c2)c(C)o1
CCC1CCCCN1C(=O)CSc1nnc(o1)-c1cccs1
OC(=O)Cn1c(SC2CCCCC2)nc2ccccc12
COc1ccc(NC(=O)Cn2cccc2)cc1Cl
CC1CCCC(NC(=O)c2ccc3c(c2)[nH]c(=O)n(CC2CCCO2)c3=O)C1C
Cc1nc2ccccc2c2oc(cc12)C(=O)NCc1ccccn1
COc1ccccc1Nc1oc2cc(=O)ccc2cc1C(N)=O
Clc1cccc(c1)N1CCN(CCCNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1
CC(=O)c1cccc(NC(=O)c2nccnc2C(O)=O)c1
COc1cc(ccc1Cl)S(=O)(=O)N1CCN(CC1)c1ccccc1F
c1cc2c(cc1F)c(c[nH]2)CCN
C=CCSC(=Nn1cnc2ccccc2c1=O)N1CCCCC1 |w:5.5|
CN(C)c1ccc(cc1)C1CC(=Nc2ncnn12)c1ccc(Cl)cc1OC(F)F |c:12|
Cc1ccc(cc1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
Cc1cccc(N2CCN(CCNC(=O)c3cc4CS(=O)(=O)Cc4s3)CC2)c1C
Fc1ccc(NC(=O)CCN2CCN(CC2)c2ccccn2)cc1
Clc1ccccc1-c1nc2cc(NC(=O)c3cncc(Br)c3)ccc2o1
COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCC1)n(Cc1ccc3OCOc3c1)c2=O
C=CCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
CC(C)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:6|
COc1ccc2[nH]c3CCN(C)Cc3c2c1
COc1ccc(cc1)N1C(C(CCC1=O)C(=O)Nc1cccc(C)n1)c1ccc(OC)c(OC)c1
CSc1ccc2nnc(-c3cccc(F)c3)n2n1
COc1ccc(CCNC(=O)C2CCCN(Cc3nc(oc3C)-c3ccccc3C)C2)cc1OC
COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccccc1
Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(CCN2CCOCC2)c1=N
COc1cccc(c1)-c1cc(nc(n1)N1CCCCC1)C(F)(F)F
Cc1nc2cc(ccc2n1-c1cccc(C)c1)C(=O)N1CCC2(CC1)OCCO2
COCCN1Cc2cccc(C(=O)NCc3ccc4OCOc4c3)c2C1=O
O=S(=O)(c1ccc2oc(nc2c1)-c1ccncc1)c1ccc2oc(nc2c1)-c1ccncc1
CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC
CC(=O)Nc1ccc(cc1)S(=O)(=O)N=C1SCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 |w:13.13|
CCOC(=O)N1CCC(CC1)NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1
Cc1oc(nc1CN1CCCC(C1)C(=O)NCCCN1CCOCC1)-c1cccc(Cl)c1
NC(=O)c1cc2ccc(=O)cc2oc1NCc1ccccc1
Brc1ccc(s1)S(=O)(=O)N1CCCC(C1)C(=O)N1CCCCCC1
Cc1nn(c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1)-c1ccccc1
Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
CC(C)COC(=O)NCCCOC(=O)Nc1ccccc1
Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1cccnc1
Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
CCOC(=O)N1CCN(CC(O)COc2c(OC)cccc2OC)CC1
O=C(CCn1c2ccccc2sc1=O)NCc1cccs1
COC(=O)C(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
CCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
Cc1cccc(Nc2oc3cc(=O)ccc3cc2C(N)=O)c1
CN(C)Cc1cc(cc(CN(C)C)c1O)C(C)(C)c1cc(CN(C)C)c(O)c(CN(C)C)c1
Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
CCOCC(=O)N1CCc2ccccc12
CCOC(=O)C1CCN(CC1)C(=O)COc1ccc(cc1Cl)S(=O)(=O)NC(C)C
CC(=O)N1CCN(CC1)c1ccc(NCc2ccc3OCOc3c2)cc1
Cc1ccc(o1)-c1cc(c(C#N)c(SCCC#N)n1)C(F)(F)F
CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(ccc1Cl)C(F)(F)F
C(N1CCN(CC1)c1ncnc2c3ccccc3oc12)c1ccc2OCOc2c1
CCOc1cc(c(C)cc1C)S(=O)(=O)NCc1ccccn1
CCOC(=O)C1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
[H]C12OC3(C=C1)C1C4CCOC4c4cc(C)ccc4N1C(=O)C3C2C(O)=O |c:4|
Cc1ccc(C)c(OCCCC(=O)Nc2ccc(cc2)N2CCOCC2)c1
CCc1cccc2c(cn(CC(=O)N3CCOCC3)c12)C#N
Cc1cc(cs1)C(=O)NCc1cccnc1
COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1
COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O
Cn1cccc1C(=O)NS(=O)(=O)c1ccccc1Cl
CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1cccs1
CN(C)Cc1c(O)c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc12
CCOc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccc(F)cc1
CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O
Cc1noc(C)c1CSc1nc2ccccc2[nH]1
CN(C)c1nc(OCCNC(C)=O)nc(n1)N1CCOCC1
O=C(Nc1ccccc1N1CCN(CC1)C(=O)c1ccccc1)c1ccc2OCOc2c1
Cc1[n+]([O-])c2ccccc2n(OCc2ccccc2F)c1=O
C=CCn1c(SCC(=O)N2CCOCC2)nc2scc(-c3ccco3)c2c1=O
Clc1ccc(NC(=O)c2cnn3cccnc23)nc1
COc1ccccc1C(=O)Nc1ccc(cc1)C(O)=O
O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(C1)c1ccccc1
COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC1CCCO1)c2=O
CC(C)Cc1nnc(NC(=O)CSc2nnc[nH]2)s1
CC1Cc2cc(ccc2N1S(=O)(=O)c1ccc(C)cc1)S(N)(=O)=O
COc1cc(OC)c(OC)cc1CNC1CCCCCC1
CCCCC12CNCC(C)(CNC1)C2=O
OC(=O)C1CCCCC1C(=O)NCCc1c[nH]c2ccccc12
CN(C)c1ccnc(NCc2ccccc2)c1C#N
O=C(Nc1cccc2cccnc12)c1cccnc1
CCC(=O)c1ccc(OCC(O)CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
COc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1
COC(=O)c1sccc1NC(=O)c1cc2CCCCc2s1
COc1ccccc1N1CCN(CCNC(=O)Nc2cccc(C)c2C)CC1
COC(=O)C1CCN(CC1)C(=O)C(C)Oc1ccc(Cl)cc1Cl
COc1ccc(cc1S(=O)(=O)N1CCC(C)CC1)C(=O)N1CCOCC1
CCOC(=O)N1CCC(CC1)Nc1c(N2CCN(CC2)c2cc(Cl)ccc2C)c(=O)c1=O
CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(o1)C1COc2ccccc2O1
COc1c(C)cc(Br)cc1C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
CC1CCc2nn(CC(=O)NC3CCCC3)cc2C1
Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1CCc1ccccc1
CCOC(=O)C1CCCN(C1)C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
Cc1oc(nc1CN1CCC(CC1)C(=O)N1CCc2ccccc2C1)-c1ccc(Cl)cc1
CCC(=O)c1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1
CCOCCCNC(=O)Cn1cc2CCCCc2n1
Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1ccc(C)c(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3=O)c1
Fc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccccc2)nc2ccccc2c1=O
O=C(CC1Oc2ccccc2NC1=O)NCCc1ccccc1
Cc1oc(nc1CS(=O)CC(=O)NC1CCCC1)-c1cccc(C)c1
COc1ccc(cc1)N1C(N2CCCC2C1=O)c1cccc(OC)c1OC
Cc1cc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2)n(n1)-c1ccccc1
Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12
Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NCc1ccc(F)cc1
CCn1c(cc2sccc12)C(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
O=C(Cn1cc2CCCCCc2n1)NC1CCN(Cc2ccccc2)CC1
CC(=O)c1cc2OCOc2cc1NC(=O)c1cc(C)nn1-c1ccccc1
CCOC(=O)N1CCC(CC1)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
COc1ccc(cc1)-c1nc(CS(=O)CC(=O)N2CCCC2)c(C)o1
Cc1nc2ccccc2n1CC(O)Cn1c2c(CCCC2=O)c2cc(C)ccc12
COc1ccccc1CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
O=C(Nc1ccc2OCCOc2c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
COC(=O)c1ccccc1NC1N(C(=O)c2ccccc12)c1cccnc1
Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCN(CC1)c1ccccn1
Clc1cccc(OCc2nc(C#N)c(o2)N2CCCC2)c1
CCOC(=O)N1CCC(CC1)N1Cc2cccc(C(O)=O)c2C1=O
O=C1N(Cc2ccco2)C(Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c2ccccc12
Clc1ccccc1N1CCN(CC1)c1ncnc2nc[nH]c12
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl
CCC(CC)C(=O)Nc1cc(=O)n(C)c(=O)n1C
Clc1ccccc1CNc1ncnc2nc[nH]c12
O=C(N(Cc1ccccc1)c1ccccn1)c1cnc2sccn2c1=O
CCSCCOC(=O)C1C(NC(=O)N=C1C)c1ccc2OCOc2c1 |c:13|
CCn1c(SCC(=O)NCC2CCCO2)nc2CC(C)Sc2c1=O
CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4
CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2CC(C)Sc2c1=O
COc1ccc(CN2CCN(CC2)c2cccc(C)c2C)cc1OC
CCN1C(=O)c2cccc3c(NC(=O)c4ccc(cc4)S(=O)(=O)N(C)C)ccc1c23
Cc1sc2nc(SCC=C)nc(N)c2c1C
COc1nc(NCCC2=CCCCC2)nc(OC)n1 |t:8|
COC(=O)C1=CN(C=C(C1c1cccc(OC)c1)C(=O)OC)C(C)C |c:7,t:4|
COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:17,t:4|
Clc1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
COc1ccc(OC)c(c1)C(=O)c1ccc(cc1)C(=O)N1CCCCC1
CN(C(C)=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
COc1ccccc1N1CCN(Cc2ccsc2)CC1
Cc1ccc(cc1)-n1c(O)cc(N2CCN(CC2)C2CCc3ccccc3C2)c1O
CC(=O)Oc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
CCCCOc1ccccc1C1C(=CN(CC)C=C1C(=O)OC)C(=O)OC |c:13,18|
Cc1ccc(o1)C1CC(=O)NC(SCc2ccccc2)=C1C#N |c:21|
OCCCc1nnc(SCc2cccc(c2)C#N)n1-c1ccccc1
CCCCP(=O)(CCCC)c1ccccc1C(O)=O
CCCC(N1CCCC1)=C1C(=O)CC(CC(C)SCC)CC1=O |(3.08,7.18,;4.41,6.41,;4.41,4.87,;5.75,4.1,;7.08,4.87,;7.24,6.41,;8.75,6.73,;9.52,5.39,;8.49,4.25,;5.75,2.56,;7.08,1.79,;8.41,2.56,;7.08,.25,;5.75,-.52,;4.98,-1.85,;5.75,-3.18,;7.29,-3.18,;4.98,-4.52,;5.75,-5.85,;4.98,-7.18,;4.41,.25,;4.41,1.79,;3.08,2.56,)|
CC1(C)C(=NC(c2cccnc2)=[N+]1[O-])c1ccccc1 |c:3,12|
Cc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1Cl
COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4|
CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1C
COc1cccc(OCCOCCNCCO)c1
CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc12 |t:1|
Cc1cc(=O)oc2cc3NCCOc3cc12
CC(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1
CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc23)cc1
O=C(NCc1ccccc1)NC1(CCCCC1)C(=O)N1CCCC1
CN1CCN(CC1)C(N=O)c1nonc1N
Cn1c(SCc2nc3ccccc3c(=O)[nH]2)ncc1-c1ccccc1
Cc1cccc(NC(=O)C2CCCN(C2)C(=O)Nc2ccccc2)c1C
COc1ccc(cc1OC)N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)cc1
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
CN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12
CCN(CC)c1nc(N2CCOCC2)c(C#N)c2CCN(C)Cc12
CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc12
NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1
Clc1ccc(NC(=O)COC(=O)CCC2CCCC2)nc1
O=C(Nc1cccc(c1)-c1cn2ccsc2n1)c1ccccc1
CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
CN(c1ccc(O)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
C1CNCC(C1)c1nc2ccccc2s1
CSc1nc2ccc(NC(=O)C3CCCO3)cc2s1
CC(CCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1
CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc3occc3n12
Cc1cccc(N2CCN(CC2)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(O)=O)c1C
CCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:5|
CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1
C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Cc1[nH]c2c(cccc2c1CCN)C(F)(F)F
CCCCN(C)CCCNC(=O)Cn1c2ccccc2sc1=O
Cc1[nH]c2c(Cl)cccc2c1CCN
CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1
CCOC(=O)C1CCN(CC1)C(=O)Cc1c(C(O)=O)n(C)c2ccccc12
CCOC(=O)c1c(C)nc(nc1NC(=O)CC)-c1ccccc1
Cc1[nH]c2ccccc2c1C1=CCNCC1 |t:12|
CCOC(=O)C1CCN(CC1)C(c1c(C)c(C)sc1NC(=O)c1ccco1)c1cccnc1
Cn1cc(C(Cc2ccccc2)N=O)c2ccccc12
Clc1cccc(c1)S(=O)(=O)N1CCCC1
CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 |c:10|
C(N1CCN(CC1)c1ccccc1)c1cn2cccnc2n1
COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1
COc1cc(CN2CCN(CC2)c2cccc(C)c2C)cc(OC)c1O
CC1CN(CC(C)O1)c1nnnn1-c1ccccc1
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1
CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
Cc1ccc(cc1)-n1nc2-c3n[o+]n([O-])c3CCc2[n+]1[O-]
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
CCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c1=O
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:9|
COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
CCC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
COc1cccc(c1)N1CCN(CC1C)c1ncnc2c3cc(F)ccc3[nH]c12
COC(=O)C(=C1\Oc2cc(C)oc(=O)c2S1)\C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6]C([#6])([#6])[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
CCOc1cccc(c1)-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC |c:16|
COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1 |c:15|
CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:10|
COc1cc2CCn3c(cc(nc3=O)N3CCCc4ccccc34)-c2cc1OC
Cn1c(nc2ccccc12)-c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 |(8.02,2.68,;9.56,2.68,;10.45,1.44,;11.91,1.91,;11.92,3.44,;13.06,4.47,;12.75,5.98,;11.28,6.46,;10.14,5.43,;10.45,3.92,;9.98,-.02,;10.88,-1.26,;12.42,-1.26,;9.98,-2.5,;10.45,-3.96,;9.55,-5.21,;10.46,-6.46,;11.92,-5.98,;11.92,-4.44,;8.52,-2.03,;7.19,-2.8,;5.85,-2.03,;4.48,-2.85,;3.08,-2.06,;3.08,-.46,;4.48,.33,;5.85,-.49,;7.19,.28,;8.52,-.49,)|
Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
Cc1ccc(s1)S(=O)(=O)Nc1cccc2ncccc12
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1
O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
Brc1ccc(o1)C(=O)Nc1ccc(cc1)-c1nc2ncccc2o1
COc1ccc(cc1)-n1c(O)cc(NCc2ccncc2)c1O
Fc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|
CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
COc1cc2CCN3C(NS(=O)(=O)c4ccccc4)=CCC(C#N)=C3c2cc1OC |c:19,24|
COc1ccc(cc1)C1N2CCCC2C(=O)N1c1ccc(F)cc1
CCCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
[H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7|
[#6]-[#16]-c1ccccc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-1=O
CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23|
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
C(Cc1c[nH]c2ccccc12)C1CCNCC1
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
C1CN(CCN1)c1cccc2OCCOc12
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
Clc1cccc(c1)N1CCNCC1
Cc1cccc2ccc(nc12)N1CCNCC1
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(Br)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)ccc1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Br)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(CC)c1OC
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
NCCc1c[nH]c2ccc(O)cc12
COc1ccc2c(c1)c(c[nH]2)CCN
CC(N)Cc1c[nH]c2ccc(O)cc12
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
CN(C)CCCSc1ccccc1NC(=O)\C=C\c1ccccc1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
CN(C)CCc1c[nH]c2c1cc(cc2)O
c1cc(c(cc1CCN)O)O
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
NCC(O)c1ccc(O)c(O)c1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6]-[#6]-c2ccccc-12
CC(CN1c2ccccc2Sc2ccccc12)N(C)C
C1CN(CCN1)c1ccc2ccccc2n1
COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
NCCc1c[nH]c2ccccc12
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
c1cc2c(cc1C(=O)N)c(c[nH]2)CCN
COc1c(O)c(O)cc2CCC(N)Cc12
OCC1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Clc1cnn(CCCCN2CCN(CC2)c2ncccn2)c1
CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1
CC(C)(C)NCC(O)COc1ccccc1C1CCCC1
CC(C)NCC(O)COc1cccc2[nH]ccc12
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
COC(=O)c1cc2c(cccc2[nH]1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc3ccccc3c2)CC1 |t:11|
CC(C)(C)NCC(O)COc1cccc2CCCSc12
COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
CN(C)Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:9|
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CNCCCN1c2ccccc2CCc3c1cccc3
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CNCCC(Oc1ccccc1C)c1ccccc1
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1
CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12
C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCc2ccccc12
Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1 |t:8|
COc1cc(CC(C)N)c(OC)cc1C
OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
[#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
FC(F)(F)c1ccc(cc1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
C(Oc1cccnc1)[C@@H]1CCN1 |r|
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CCCN(CCC)C1CCc2ccc(O)cc2C1
Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,t:1|
FC(F)(F)c1cccc(c1)N1CCNCC1
COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C
NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1
Clc1cccc(c1)N1CCN(CCCn2[nH]c(=O)n(CCOc3ccccc3)c2=O)CC1
C[C@@H](Cc1ccccc1)N
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N
CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C |@@:20|
C[C@H](Cc1ccccc1)N(C)CC#C |r|
CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
CC[C@@H]1CC2C[C@H]3C1N(C2)CCc1c3[nH]c2ccc(OC)cc12 |TLB:3:4:7:13.12.11.10,THB:13:6:8.9:2.3,1:2:8.9:6.5,10:8:6.5:2.3|
CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
C1CN=C(N1)C1COc2ccccc2O1 |c:2|
CC(N)Cc1ccc2OCOc2c1
CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc(Cl)c1 |THB:9:7:1:3.4|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
C[C@@H](Cc1ccccc1)NC
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
CCCN1CCCC(C1)c1cccc(O)c1
CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC
CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
Oc1cc2[C@H](C[NH2+]CCc2c(Cl)c1O)c1ccccc1
Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1
c1ccc(cc1)[C@@H]2C[C@H]2N
CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C
CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
Fc1cccc2OC3CNCC3Oc12
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCCC2S(=O)(=O)c2cccc3ccccc23)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3
COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
CCCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
CCCNC1CCc2nc(N)sc2C1
CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
CCCN(CCC)CCc1cccc2NC(=O)Cc12
Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
Nc1nc2CCN(CC=C)CCc2s1
CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
C[NH+](C)C1CCc2cc(O)c(O)cc2C1
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
C[C@@H](Cc1ccc2c(c1)OCO2)NC
CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)|
CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
OC(CON1C(=O)C2C3CC(C=C3)C2C1=O)CN1CCN(CC1)c1ccccc1 |c:11|
O=S(=O)c1ccccc1.COCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br
OCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br
Cl.COCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br
OCCOc1cc(CC2CCN(CCc3ccc4OCC(O)C(=O)c4c3)CC2)ccc1Br
OC1COc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc2C1=O
Cl.COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Cl.OCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Oc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1Br
Oc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4OC(O)CC(=O)c4c3)CC2)ccc1Br
Cl.COCCOc1cc(CC2CCN(CC(O)c3ccc4OCCC(=O)c4c3)CC2)ccc1Br
Cl.COCCOc1cc(CC2CCNCC2)ccc1Br
OCCOc1cc(CC2CCNCC2)ccc1Br
Cl.OC1COc2ccc(CCN3CCC(Cc4ccc(Br)c(OCC(O)=O)c4)CC3)cc2C1=O
Cl.OC(=O)COc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br
Cl.OC(=O)COc1cc(CC2CCNCC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4occ(O)c(=O)c4c3)CC2)ccc1Br
OC1CCOc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc12
NC(=O)OC(CCCN1CCN(CC1)c1ccccn1)c1ccccc1
NC(=O)OC(CCCN1CCN(CC1)c1ncccc1Cl)c1ccccc1
COc1ccc(cc1)N1CCN(CCC[C@@H](OC(N)=O)c2ccccc2)CC1 |r|
NC(=O)OC(CCN1CCN(CC1)c1ccccc1)c1ccccc1
NC(=O)OC(CCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
COc1ccc(cc1)N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
NC(=O)OC(CCN1CCN(CC1)c1ccc(F)cc1)c1ccccc1
NC(=O)OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccccc1
NC(=O)OC(CCN1CCN(CC1)c1ccccn1)c1ccccc1
COc1cccc(c1)N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
NC(=O)OC(CCN1CCN(CC1)c1cccc(Cl)c1)c1ccccc1
NC(=O)OC(CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)c1ccccc1
NC(=O)OC(CCN1CCN(CC1)c1ccccc1F)c1ccccc1
NC(=O)OC(CCN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccccc1
NC(=O)OC(CCCN1CCN(CC1)c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CCCC(OC(N)=O)c2ccccc2)CC1
O=C(NCc1ccccn1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(Nc1ccc(cc1)N1CCOCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NC1CCN(CC1)c1ccccc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CS(=O)(=O)c1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Cn1cnc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
CC(=O)N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccccn1
Clc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NCc1ccc(cc1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NCc1ccc2OCOc2c1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CNC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NC1CC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
FC1(F)CC(C1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(N1CCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(N1CCCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CS(=O)(=O)Cc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
COc1cccc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
CN(Cc1cccc(c1)S(C)(=O)=O)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NCc1ccc(nc1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CN(Cc1cccnc1)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(NCc1cccc(c1)C#N)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(N1CCN(CC1)c1nccs1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
COc1cccnc1N1CCC(CC1)NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CN(Cc1ccccn1)C(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
COc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
O=C(NC1(CC1)c1ccccn1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
COc1ccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cc1
Cc1ccnc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)n1
Cn1cnc(CCNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
O=C(NCC1CCOCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccnn1C
CC(NC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1)c1ccc(C)nc1
Cc1ncc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)cn1
O=C(NCc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
O=C(N1CC(C1)Oc1cccnc1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1
Oc1cccc(CNC(=O)c2cc3cccc(N4CCN(CCc5ccccn5)CC4)c3o2)c1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
COc1ccnc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N(C)C)c1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(C)cn4)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4cc(ccn4)C#N)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4cccc(n4)C(F)(F)F)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(cn4)C(C)=O)CC3)c2o1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(NC(C)=O)cn4)CC3)c2o1
COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N2CCC2)n1
COc1cccc(CCN2CCN(CC2)c2cccc3cc(oc23)C(=O)N(C)C)n1
CN(C)C(=O)c1cc2cccc(N3CCN(CCc4ccc(F)cn4)CC3)c2o1
COc1cccnc1CCN1CCN(CC1)c1cccc2cc(oc12)C(=O)N(C)C
CC(=O)N1CCc2cc(CCN3CCN(CC3)c3cccc4cc(oc34)C(=O)N3CCC3)ccc12
CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccccn4)CC3)c2o1
CN(C)C(=O)c1cc2cc(F)cc(N3CCN(CCc4ccc5N(CCc5c4)C(C)=O)CC3)c2o1
COc1cc(N2CCN(CCc3ccccn3)CC2)c2oc(cc2c1)C(=O)N(C)C
CN(C)C(=O)c1cc2c(Br)ccc(N3CCN(CCc4ccccn4)CC3)c2o1
Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2Cl)CC1
Cl.COc1ccccc1N1CCN(CCCOc2cc(C)ccc2C)CC1
Cl.COc1ccccc1N1CCN(CCCOc2cc(C)cc(C)c2C)CC1
COc1ccccc1N1CCN(CCCOc2c(C)cc(C)cc2C)CC1
COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2C)CC1
Cl.COc1ccccc1N1CCN(CCOCCOc2c(C)cccc2Cl)CC1
OCc1ccc(cc1)-c1nnc(SCCCN2CCN(CC2)c2nsc3ccccc23)o1
OCc1ccc(cc1)-c1nnc(SCCCN2CCC(CC2)c2noc3cc(F)ccc23)o1
Clc1ccc(cc1)-c1nnc(SCCCN2CCN(CC2)c2nsc3ccccc23)o1
Fc1ccc2c(noc2c1)C1CCN(CCCSc2nnc(o2)-c2ccc(Cl)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCSc2nnc(o2)-c2cccc3ccccc23)CC1
O=C1NN=C(NC1CCCCN1CCN(CC1)c1ccccc1)c1ccccc1 |c:3|
COc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:19|
CSc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:19|
Fc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:18|
Clc1ccc(cc1)N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2)CC1 |c:18|
Clc1cccc(N2CCN(CCCCC3NC(=NNC3=O)c3ccccc3)CC2)c1Cl |c:16|
Fc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)c2ccccc2Cl)CC1 |c:18|
COc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)C2CCCCC2)CC1 |c:19|
CSc1ccccc1N1CCN(CCCCC2NC(=NNC2=O)C2CCCCC2)CC1 |c:19|
Clc1cccc(N2CCN(CCCCC3NC(=NNC3=O)C3CCCCC3)CC2)c1Cl |c:16|
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
O=C(CN1CCO[C@@H](COc2ccccn2)C1)N1CCc2ccccc12 |r|
C(CN1CCO[C@@H](COc2ccccn2)C1)N1CCc2ccccc12 |r|
Cc1ccnc(OC[C@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
O=C(CN1CCO[C@H](COc2cccnc2)C1)N1CCc2ccccc12 |r|
Clc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
Clc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
Clc1cccc(OC[C@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@H]2CN(CC(=O)N3CCc4ccccc34)CCO2)c1 |r|
COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccnc2C)C1 |r|
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccnc2C)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccnc2C)C1 |r|
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccnc2C)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@H](COc2cccc(Cl)c2)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccccc2C)C1 |r|
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccncc2)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccncc2)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2ccccn2)C1 |r|
CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cc(C)ccn2)C1 |r|
CCC(O)CNCCOc1ccc2oc3ccccc3c(=O)c2c1
CCC(CO)NCCOc1ccc2oc3ccccc3c(=O)c2c1
CCC(CO)NCCCOc1ccc2oc3ccccc3c(=O)c2c1
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
COc1cc(\C=C\C(=O)NCC=C)cc(OC)c1OC
CCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
CCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
COc1cc(\C=C\C(O)=O)cc(OC)c1OC
C(Cn1ccc2cccnc12)N1CCCN2CCCCC2C1
Clc1nccc2ccn(CCN3CCCN4CCCCC4C3)c12
C(Cn1ccc2ccncc12)N1CCCN2CCCCC2C1
Brc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2n1
Clc1ccc2ccn(CCN3CCCN4CCCCC4C3)c2n1
COc1cc2CCN3Cc4c(OC)ccc(OC)c4C[C@H]3c2cc1O |r|
COc1ccc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc12 |r|
COc1ccc(OC)c2CN3CCc4cc5OCCOc5cc4[C@@H]3Cc12 |r|
COc1cc2C[C@@H]3N(CCc4cc(OC)c(OC)cc34)Cc2c(OC)c1 |r|
COc1cc(OC)c2CN3CCc4cc5OCOc5cc4[C@@H]3Cc2c1CO |r|
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1
O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1
O=c1[nH]c2ccc(cc2[nH]1)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Fc1ccc(cc1)-c1ccc(CN2CCC(CC2)c2ccc3[nH]c(=O)[nH]c3c2)cc1
O=c1[nH]c2ccc(cc2[nH]1)C1CCN(Cc2cncc(c2)-c2ccccc2)CC1
Fc1ccc(cc1)-c1cncc(CN2CCC(CC2)c2ccc3[nH]c(=O)[nH]c3c2)c1
O=c1[nH]c2ccc(cc2[nH]1)C1CCN(Cc2cccc(c2)C2=CCCC2)CC1 |t:24|
O=c1[nH]c2ccc(cc2[nH]1)C1CCN(Cc2cncc(c2)C2=CCCC2)CC1 |t:24|
O=c1[nH]c2ccc(cc2[nH]1)N1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2ccc3[nH]c(=O)[nH]c3c2)cc1
O=c1[nH]c2ccc(cc2[nH]1)N1CCN(Cc2cncc(c2)-c2ccccc2)CC1
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccc3[nH]c(=O)[nH]c3c2)c1
O=c1[nH]c2ccc(cc2[nH]1)N1CCN(Cc2cccc(c2)C2=CCCC2)CC1 |t:24|
O=c1[nH]c2ccc(cc2[nH]1)N1CCN(Cc2cncc(c2)C2=CCCC2)CC1 |t:24|
CN1CCc2ccc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
COc1ccccc1N1CCN(CCCCOc2ccc3CCN(C)C(=O)c3c2)CC1
CN1CCc2ccc(OCCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2C1=O
CN1CCc2ccc(OCC(O)CN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4ccccc34)cc2C1=O
CCN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2c(C)cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2c(F)cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CC1CN(C)C(=O)c2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
CN1COc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc3CCNC(=O)c3c2)CC1
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccc4OCOc4c3)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3nsc4ccccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccc4ccccc4n3)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccc(Cl)cc3)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccccc3Cl)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccc(F)cc3)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccccc3F)cc2C1=O
COc1ccc(cc1)N1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1
COc1ccccc1N1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccccn3)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3ncccn3)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(CC3)C(=O)c3ccc(F)cc3)cc2C1=O
Cn1cnc2ccc(OCCCCN3CCN(Cc4ccccc4)CC3)cc2c1=O
Cn1cnc2ccc(OCCCCN3CCc4ccccc4C3)cc2c1=O
Cn1cnc2ccc(OCCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2c1=O
Cn1cnc2ccc(OCCCCN3CCN(CC3)c3ccc(F)cc3)cc2c1=O
O=c1[nH]cnc2ccc(OCCCCN3CCN(CC3)c3ccccn3)cc12
Cc1nc2ccc(OCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2c(=O)n1C
Clc1cccc(N2CCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
FC1=CC2ON=C(C2C=C1)C1CCN(CCCOc2ccc3NC(=O)CCc3c2)CC1 |c:5,9,t:1|
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2)CC1
CC(=O)Nc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
CC(=O)Nc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(Cl)c2)CC1
Fc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
COc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
COc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
COc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)cc1
COc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)cc1
CSc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
CSc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3OCCOc23)CC1
FC1(CNCCOc2cccc3OCCOc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3cccnc23)CC1
FC1(CNCCOc2cccc3cccnc23)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccn2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccnc2)CC1
Cc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccc(Cl)cn2)CC1
COc1cccnc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cc(ccn2)C(F)(F)F)CC1
Fc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(n2)N2CCCC2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(n2)-n2cccn2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ncccn2)CC1
Cc1cnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cnccn2)CC1
COc1cccc(SCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCSc2ccccn2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3[nH]ccc23)CC1
CN(C)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(c2)C(F)(F)F)CC1
NC(=O)c1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
NC(=O)c1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
CNc1ccccc1OCCNCC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
CNc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCNc2ccccc2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCNc2ccccn2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCCc2ccccn2)CC1
CC(=O)Nc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCCc2ccccc2)CC1
CC1(C)Cc2cccc(OCCNCC3(F)CCN(CC3)C(=O)c3ccc(F)c(Cl)c3)c2O1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2F)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccccc2Cl)CC1
Cc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Fc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)cc1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccc(Cl)cc2)CC1
COc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
COc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
COc1ccnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Fc1ccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Fc1ccnc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(n2)C(F)(F)F)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc(Cl)n2)CC1
Cc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
FC1(CNCCOc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Cc1ccc(nc1)CNCC2(CCN(CC2)C(=O)c3ccc(c(c3)Cl)F)F
O=C1N(CCN2CCN(CC2)c2noc3ccccc23)CCc2cccnc12
COc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1
Cc1cc2CCN(CCN3CCN(CC3)c3noc4ccccc34)C(=O)c2cn1
Fc1ccc2c(noc2c1)C1CCN(CCN2CCc3cccnc3C2=O)CC1
Fc1ccc2onc(C3CCN(CCN4CCc5cccnc5C4=O)CC3)c2c1
Cc1cc2c(noc2cc1F)C1CCN(CCN2CCc3cccnc3C2=O)CC1
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2cccnc12
O=c1n(CCN2CCN(CC2)c2nsc3ccccc23)ccc2cccnc12
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2ncccc12
O=c1n(CCN2CCN(CC2)c2nsc3ccccc23)ccc2ncccc12
O=c1n(CCN2CCN(CC2)c2nsc3ccccc23)ccc2ccncc12
Fc1ccc2c(noc2c1)C1CCN(CCn2ccc3cccnc3c2=O)CC1
O=c1n(CCN2CCC(CC2)c2noc3ccccc23)ccc2ccncc12
COc1cc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2cn1
CC1CN(CCN2CCC(CC2)c2noc3ccccc23)C(=O)c2ncccc12
Cn1cnc2c1CCN(CCN1CCC(CC1)c1noc3ccccc13)C2=O
Cn1cc2c(CCN(CCN3CCC(CC3)c3noc4ccccc34)C2=O)n1
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2ccncc12
COc1cc2C(=O)N(CCN3CCN(CC3)c3nsc4ccccc34)CCc2cn1
COc1cc2CCN(CCN3CCN(CC3)c3noc4ccccc34)C(=O)c2cn1
Cc1cc2c(cn1)C(=O)N(CCN1CCN(CC1)c1noc3ccccc13)CC21CC1
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2cccnc12
O=C1C(CCN2CCN(CC2)c2noc3ccccc23)CCc2cccnc12
O=C1C(CCN2CCC(CC2)c2noc3ccccc23)CCc2cccnc12
O=C1C(CCN2CCN(CC2)c2nsc3ccccc23)CCc2cccnc12
O=C1N(CCN2CCC(CC2)c2nsc3ccccc23)CCc2cccnc12
Fc1ccc2c(nsc2c1)N1CCN(CCN2CCc3cccnc3C2=O)CC1
Cn1ncc2c1CCC(CCN1CCC(CC1)c1noc3ccccc13)C2=O
Cn1ncc2c1CCC(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
Cn1ncc2c1CCCC(CCN1CCC(CC1)c1noc3ccccc13)C2=O
Cn1ncc2c1CCCC(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
Cc1noc2CCN(CCN3CCN(CC3)c3noc4ccccc34)C(=O)c12
Cc1noc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
Cc1noc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12
Cc1nc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2o1
Cn1cc2c(CCN(CCN3CCN(CC3)c3nsc4ccccc34)C2=O)n1
Cc1c2c(CCN(CCN3CCC(CC3)c3noc4ccccc34)C2=O)nn1C
Cc1noc2CCCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
Cc1nc2c(CCN(CCN3CCC(CC3)c3noc4ccccc34)C2=O)o1
Cc1noc2CCCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12
Cn1cc2c(CCCN(CCN3CCC(CC3)c3noc4ccccc34)C2=O)n1
Cn1cc2c(CCCN(CCN3CCN(CC3)c3nsc4ccccc34)C2=O)n1
Cn1ncc2c1CCCN(CCN1CCC(CC1)c1noc3ccccc13)C2=O
Cn1ncc2c1CCCN(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
Cc1nc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2o1
Cc1nc2CCCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2o1
Cn1ncc2CCCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12
Cn1cc2CCCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2n1
Cn1cc2CCCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2n1
Cn1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2n1
Cc1nc2c(CCN(CCN3CCN(CC3)c3nsc4ccccc34)C2=O)o1
Cc1nc2c(CCCN(CCN3CCN(CC3)c3nsc4ccccc34)C2=O)o1
Cc1noc2ccn(CCN3CCN(CC3)c3nsc4ccccc34)c(=O)c12
Cn1cnc2c1CCN(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
Cn1cnc2CCCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12
Cn1cnc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2ncncc12
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2ncncc12
Cn1ncc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12
Cn1ccc2c1CCN(CCN1CCC(CC1)c1noc3ccccc13)C2=O
Cn1ccc2c1CCN(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
Brc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1
Cn1ncc2c1CCN(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
CCn1ncc2c1CCN(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
Cc1c2c(CCN(CCN3CCN(CC3)c3nsc4ccccc34)C2=O)nn1C
CC(C)c1nc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2o1
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2nc(oc12)C1CC1
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2nc(oc12)C1CC1
Brc1nn(Br)c2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12
Cn1nc(Br)c2c1CCN(CCN1CCC(CC1)c1noc3ccccc13)C2=O
CCc1nc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2o1
CCc1nc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2o1
Cn1nc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2c1Br
Cn1nc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2c1Br
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2nn(cc12)C1CC1
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2nn(cc12)C1CC1
CC1CN(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2cnn(C)c12
Cn1nc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2c1C(F)(F)F
CC1CN(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccn(C)c12
Cn1ncc2c1CCCN(CCN1CCN(CC1)c1noc3ccccc13)C2=O
Cn1cc2c(CCN(CCN3CCN(CC3)c3noc4ccccc34)C2=O)n1
CC1CN(CCN2CCC(CC2)c2noc3ccccc23)C(=O)c2ccn(C)c12
CC1CN(CCN2CCN(CC2)c2noc3ccccc23)C(=O)c2ccn(C)c12
FC(F)(F)c1cc2ccn(CCN3CCC(CC3)c3noc4ccccc34)c(=O)c2cn1
Cc1nccc2CCN(CCN3CCN(CC3)c3noc4ccccc34)C(=O)c12
Cc1cc2c(cn1)C(=O)N(CCN1CCN(CC1)c1noc3ccccc13)CC2(C)C
Cc1nccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
Cc1ncc2C(=O)N(CCN3CCC(CC3)c3noc4ccccc34)CCc2n1
Cc1ccc2onc(C3CCN(CCN4CCc5cccnc5C4=O)CC3)c2c1
Cc1ncc2C(=O)N(CCN3CCN(CC3)c3nsc4ccccc34)CCc2n1
Cc1nn(C)c2CCCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
Cc1nn(C)c2CCCN(CCN3CCN(CC3)c3noc4ccccc34)C(=O)c12
CCc1ncc2C(=O)N(CCN3CCN(CC3)c3nsc4ccccc34)CCc2n1
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2nc(ncc12)C1CC1
Cc1ncc2c(ccn(CCN3CCN(CC3)c3nsc4ccccc34)c2=O)n1
Cn1ncc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCCc2[nH]ncc12
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2cn[nH]c12
Cc1n[nH]c2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCCc2nc[nH]c12
Cn1cnc2c1CCCN(CCN1CCC(CC1)c1noc3ccccc13)C2=O
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2cc(ncc12)C#N
Cn1ccc2c1CCCN(CCN1CCC(CC1)c1noc3ccccc13)C2=O
CCc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1
Cc1nn(C)c2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c12
COc1c2c(CCN(CCN3CCN(CC3)c3nsc4ccccc34)C2=O)nn1C
Cc1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1
Cn1ccc2c1CCCN(CCN1CCN(CC1)c1noc3ccccc13)C2=O
FC(F)(F)c1cc2CCN(CCN3CCN(CC3)c3nsc4ccccc34)C(=O)c2cn1
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2cc(OC3COC3)ncc12
Cn1c(F)cc2c1CCN(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
Cc1cc2ccn(CCN3CCN(CC3)c3noc4ccccc34)c(=O)c2cn1
Cc1nc(C)c2c(ccn(CCN3CCC(CC3)c3noc4ccccc34)c2=O)n1
O=c1n(CCN2CCN(CC2)c2noc3ccccc23)ccc2ncccc12
O=c1n(CCN2CCN(CC2)c2noc3ccccc23)ccc2ccncc12
O=c1n(CCN2CCN(CC2)c2noc3ccccc23)ccc2cccnc12
Cc1ccc2c(noc2c1)C1CCN(CCN2CCc3cccnc3C2=O)CC1
CC1(C)CN(CCN2CCC(CC2)c2noc3cc(F)ccc23)C(=O)c2ncccc12
Cc1cccc2c(noc12)C1CCN(CCN2CCc3cccnc3C2=O)CC1
Fc1ccc2c(noc2c1)C1CCN(CCN2CCc3ncccc3C2=O)CC1
CC(CN1CCC(CC1)c1noc2cc(F)ccc12)N1CCc2cccnc2C1=O
Fc1ccc2c(noc2c1)N1CCN(CCN2CCc3cccnc3C2=O)CC1
Clc1ccc2c(noc2c1)N1CCN(CCN2CCc3cccnc3C2=O)CC1
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2ccsc12
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2ccoc12
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2ncccc12
O=c1n(CCN2CCC(CC2)c2noc3ccccc23)ccc2ncncc12
Cn1ncc2c1CCN(CCN1CCC(CC1)c1noc3ccccc13)C2=O
Cn1ncc2c1CCN(CCN1CCN(CC1)c1noc3ccccc13)C2=O
Cc1noc2ccn(CCN3CCC(CC3)c3noc4ccccc34)c(=O)c12
Cn1cnc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
Cn1cnc2CCCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
Cc1cc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2cn1
O=C1N(CCN2CCN(CC2)c2noc3ccccc23)CC2(CC2)c2ccncc12
Cc1cncc2C(=O)N(CCN3CCN(CC3)c3noc4ccccc34)CCc12
Cc1cncc2C(=O)N(CCN3CCC(CC3)c3noc4ccccc34)CCc12
Cc1nc(C)c2C(=O)N(CCN3CCC(CC3)c3noc4ccccc34)CCc2n1
Fc1cccc2c(noc12)C1CCN(CCN2CCc3cccnc3C2=O)CC1
Fc1cccc2onc(C3CCN(CCN4CCc5cccnc5C4=O)CC3)c12
COc1ccc2onc(C3CCN(CCN4CCc5cccnc5C4=O)CC3)c2c1
Fc1ccc2c(noc2c1)N1CCN(CCC2CCc3cccnc3C2=O)CC1
Clc1ccc2CCN(CCN3CCN(CC3)c3noc4ccccc34)C(=O)c2n1
CC1(CCN2CCN(CC2)c2noc3ccccc23)CCc2cccnc2C1=O
Clc1ccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2n1
Fc1ccc2onc(N3CCN(CCN4CCc5cccnc5C4=O)CC3)c2c1
Fc1cc2onc(C3CCN(CCN4CCc5cccnc5C4=O)CC3)c2cc1F
COc1ccc2c(noc2c1)C1CCN(CCN2CCc3cccnc3C2=O)CC1
Cc1ncc2C(=O)C(CCN3CCC(CC3)c3noc4ccccc34)CCc2n1
Cc1c2c(CCN(CCN3CCC(=CC3)c3noc4ccccc34)C2=O)nn1C |c:12|
Cc1cc2CCN(CCN3CCC(=CC3)c3noc4ccccc34)C(=O)c2cn1 |c:12|
O=C1N(CCN2CCN(CC2)c2noc3ccccc23)CCc2ncccc12
Cc1nc2CCCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2o1
Cn1ncc2CCCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
Cn1cc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2n1
Cc1nc2c(CCCN(CCN3CCC(CC3)c3noc4ccccc34)C2=O)o1
CC(C)n1ncc2c1CCN(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
CC(C)n1ncc2c1CCN(CCN1CCC(CC1)c1noc3ccccc13)C2=O
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2c1cnn2C1CC1
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2c1cnn2C1CC1
CC(C)n1cc2c(CCN(CCN3CCN(CC3)c3nsc4ccccc34)C2=O)n1
CCn1cc2c(CCN(CCN3CCN(CC3)c3nsc4ccccc34)C2=O)n1
CC(C)c1nc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2o1
Cn1ccc2c1CCCN(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
Cc1cc2c(CCCN(CCN3CCC(CC3)c3noc4ccccc34)C2=O)n1C
Cc1cc2c(CCCN(CCN3CCN(CC3)c3nsc4ccccc34)C2=O)n1C
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2nn(cc12)-c1ccccc1
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)CCc2[nH]ncc12
Cn1ccc2c1CCN(CCN1CCN(CC1)c1noc3ccccc13)C2=O
Cc1c2c(CCN(CCN3CCN(CC3)c3noc4ccccc34)C2=O)nn1C
FC(F)(F)c1cc2ccn(CCN3CCN(CC3)c3nsc4ccccc34)c(=O)c2cn1
FC(F)(F)c1cc2ccn(CCN3CCN(CC3)c3noc4ccccc34)c(=O)c2cn1
Cn1cc2c(CCN(CCN3CCC(C3)c3noc4ccccc34)C2=O)n1
Cn1ccc2c1CCCN(CCN1CCC(C1)c1noc3ccccc13)C2=O
COc1ncc2C(=O)N(CCN3CCC(CC3)c3noc4ccccc34)CCc2n1
COc1ncc2C(=O)N(CCN3CCN(CC3)c3nsc4ccccc34)CCc2n1
Cc1nc2CCN(CCN3CCN(CC3)c3noc4ccccc34)C(=O)c2o1
Cc1ncc2C(=O)N(CCN3CCN(CC3)c3noc4ccccc34)CCc2n1
CC(C)c1ncc2C(=O)N(CCN3CCN(CC3)c3nsc4ccccc34)CCc2n1
CC(C)c1ncc2c(ccn(CCN3CCN(CC3)c3nsc4ccccc34)c2=O)n1
O=c1n(CCN2CCN(CC2)c2nsc3ccccc23)ccc2nc(ncc12)C1CC1
Cc1ccc2CCN(CCN3CCN(CC3)c3noc4ccccc34)C(=O)c2n1
Cc1ccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2n1
CCc1ccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2n1
Fc1ccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2n1
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2[nH]ncc12
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2ocnc12
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2[nH]cnc12
Brc1n[nH]c2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c12
Cc1ncc2c(ccn(CCN3CCN(CC3)c3noc4ccccc34)c2=O)n1
Cc1ncc2c(ccn(CCN3CCC(CC3)c3noc4ccccc34)c2=O)n1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCCOC2)CC1
Cc1cccc(n1)C1CCN(CCNC(=O)C2CC3CCC2O3)CC1
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1
COCC(C)(C)C(=O)NCCN1CCC(CC1)c1cccc(C)n1
COCC(C)(C)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
COCC1(CC1)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
CC(C)(C)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
Cc1cccc(n1)C1CCN(CCNC(=O)C(C)(C)C)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:11|
Cc1cccc(n1)C1=CCN(CCNC(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 |r,t:8|
Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCC(F)(F)CC2)CC1 |t:8|
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCOC2)CC1
FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCCOC2)CC1 |t:11|
COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(C)n1 |c:14|
COCC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:14|
FC(F)(F)c1cccc(n1)C1=CCN(CCNC(=O)C2CCOCC2)CC1 |t:11|
Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCCCO2)CC1 |t:8|
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1 |r|
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCOC2)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOC2)CC1
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1
FC(F)(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCCO2)CC1
CO[C@H]1CC[C@@H](CC1)C(=O)NCCN1CCC(CC1)c1cccc(C)n1 |r,wU:2.1,wD:5.8,(-9.07,5.37,;-9.34,3.85,;-8,3.08,;-6.67,3.85,;-5.33,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-4,.77,;-4,-.77,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;8.05,-1.51,;9.38,-.74,;6.67,-.77,)|
CO[C@H]1CC[C@@H](CC1)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F |r,wU:2.1,wD:5.8,(-9.74,5.37,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.38,-1.51,;6,-.77,;8.72,-.74,;10.05,.03,;7.95,.59,;9.49,-2.08,)|
FC(F)(F)Oc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
Cc1cccc(n1)C1=CCN(CCNC(=O)C2CCOCC2)CC1 |t:8|
Cc1cccc(n1)C1=CCN(CCNC(=O)C(C)(C)C)CC1 |t:8|
CC(C)(C)C(=O)NCCN1CCC(=CC1)c1cccc(n1)C(F)(F)F |c:12|
Fc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
COc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
FC(F)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
O=C(NCCN1CCC(CC1)c1cccc(n1)C#N)C1CCOCC1
Nc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
CNc1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
CN(C)c1cccc(n1)C1CCN(CCNC(=O)C2CCOCC2)CC1
COCCC1(CC1)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F
Cc1cccc(n1)C1CCN(CCNC(=O)C2CCCCO2)CC1
Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O
[O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl
Cc1cnc2C(=O)N(CCN3CCN(CC3)c3noc4ccccc34)CCc2c1
O=C1N(CCN2CCC(CC2)c2noc3ccccc23)CCc2ccncc12
Cc1cc2c(cn1)C(=O)N(CCN1CCC(CC1)c1noc3ccccc13)CC21CC1
Cn1nc(Br)c2c1CCN(CCN1CCN(CC1)c1nsc3ccccc13)C2=O
Cc1ccc2c(noc2c1)C1CCN(CCn2ccc3cccnc3c2=O)CC1
COc1ncc2C(=O)N(CCN3CCN(CC3)c3noc4ccccc34)CCc2n1
COc1ccc2CCN(CCN3CCN(CC3)c3noc4ccccc34)C(=O)c2n1
COc1ccc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2n1
CN(C)CCc1c[nH]c2c1c(ccc2)O
COc1cc(c(OC)cc1C1CCCNC1)C(F)(F)F
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
COc1cc(CC(C)N)c(OC)cc1Br
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CN(C)CCc1c[nH]c2c1cccc2
CCc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1cc(OC)c(CC(C)N)cc1OC
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CCSc1cc(OC)c(CC(N)CC)cc1OC
CN(C)CCc1c[nH]c2cc(F)ccc12
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(OC)c(OC)cc1CC(C)N
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@@H]1C[C@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
COc5cnc4C(=O)N(CCN3CCN(c1nsc2ccccc12)CC3)CCc4c5
O=c1c2ncccc2ccn1CCN1CCN(c2nsc3cc(F)ccc23)CC1
COc5cc4C(=O)N(CCN3CCN(c1nsc2ccccc12)CC3)CCc4cn5
Cn1ncc2c1CCCC(CCN1CCN(c3noc4ccccc34)CC1)C2=O
Cc1noc2c1C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CCC2
Cc1nc2c(o1)CCN(CCN1CCN(c3noc4ccccc34)CC1)C2=O
Cc1cc2c(o1)C(=O)N(CCN1CCN(c3nsc4ccccc34)CC1)CC2
O=C1c2oc(C3CC3)nc2CCC1CCN1CCN(c2nsc3ccccc23)CC1
CC1CC(CCN2CCC(c3noc4ccccc34)CC2)C(=O)c2ccn(C)c21
O=c2c1cnc(C(F)(F)F)cc1ccn2CCN5CCC(c3noc4ccccc34)CC5
N#Cc1cc2c(cn1)C(=O)N(CCN1CCN(c3nsc4ccccc34)CC1)CC2
[2H]C([2H])([2H])Oc1cc2c(cn1)C(=O)N(CCN1CCN(c3nsc4ccccc34)CC1)CC2([2H])[2H]
COc1ccc2c(N3CCN(CCN4CCc5cccnc5C4=O)CC3)noc2c1
COc1cccc2c3c(oc12)CN(CCNC(=O)C1CCC(F)(F)CC1)CC3
COc1cccc2c3c(oc12)CN(CCCCn1ncc(=O)n(C)c1=O)CC3
CCOc1cccc2c3c(oc12)CN(CCc1ccc2ccc(=O)[nH]c2c1)CC3
CCOc1cccc2c3c(oc12)CN(CCCC(=O)C1CCCCCC1)CC3
CCOc1cccc2c3c(oc12)CN(CCN1CCCc2c(ccn2C)C1=O)CC3
CCOc1cccc2c3c(oc12)CN(CCN1CCCc2c(cnn2C)C1=O)CC3
CCOc1cccc2c3c(oc12)CN(CCCCn1ncc(=O)n(C)c1=O)CC3
CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl
O=C(NCCCc1ccccc1)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]ccc4c3O2)CC1
O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
OC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
CCCCOC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(cc4c3O2)C(=O)OC)CC1
NC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
COC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
COC(=O)c1cc2c3OC(CN4CCC(CC4)(Nc4ccccc4)C(N)=O)COc3ccc2[nH]1
CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CN(C)CCc1c[nH]c2ccc3OCCCc3c12
NCCc1c[nH]c2ccc3OCCCc3c12
CN(C)CCc1cn(C)c2ccc3OCCCc3c12
CN(C)CCc1c[nH]c2cc3CCCOc3cc12
Cn1cc(CCN)c2c3CCCOc3ccc12
CCN1CCc2cccc(O)c2CC1
CCCN1CCc2ccc(O)cc2CC1
CCCCN1CCc2cccc(O)c2CC1
COc1cccc2CCN(CC3CC3)CCc12
CCCN1CCc2cccc(O)c2CC1
CCN1CCc2cccc(OC)c2CC1
COc1cccc2CCN(C)CCc12
CCCN1CCc2cccc(OC)c2CC1
CCCN1CCc2c(Br)ccc(OC)c2CC1
CN1CCc2cccc(O)c2CC1
COc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
COc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
COc1ccc2occ(CC(C)N)c2c1
COc1ccc2occ(CCN(C)C)c2c1
CCCC(=O)N1CCN(CC1)c1cccc(Cl)c1
CCCN1CCN(CC1)c1cccc(Cl)c1
CN1CCN(CC1)c1cccc(Cl)c1
CC(C)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Clc1cccc(c1)N1CCN(CC=C)CC1
CC(=O)N1CCN(CC1)c1cccc(Cl)c1
CCCCCCCCN1CCN(CC1)c1cccc(Cl)c1
Clc1cccc(c1)N1CC[N+]2(CCCC2)CC1
Clc1cccc(c1)N1CCN(Cc2ccccc2)CC1
CCC(C)N1CCN(CC1)c1cccc(Cl)c1
CC1(CC(=O)N(C(=O)C1)CCCCN2CCN(CC2)c3ncccn3)C
CCCCN1CCN(CC1)c1cccc(Cl)c1
CCCCCCN1CCN(CC1)c1cccc(Cl)c1
Clc1cccc(c1)N1CCOCC1
Clc1cccc(c1)N1CCN(CC1)C(=O)Cc1ccccc1
Clc1cccc(c1)N1CCN(CC1)C(=O)c1ccccc1
CCCCCN1CCN(CC1)c1cccc(Cl)c1
CCN1CCN(CC1)c1cccc(Cl)c1
CC(C)N1CCN(CC1)c1cccc(Cl)c1
CCC(=O)N1CCN(CC1)c1cccc(Cl)c1
OCCN1CCN(CC1)c1cccc(Cl)c1
COc1ccccc1N1CCC2(C1)CCN(CCCSc1nnc(-c3ccccc3)n1C)CC2
Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
Clc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
Clc1ccccc1N1CCNCC1
COc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
COc1ccccc1N1CCNCC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)c1ccccc1
CC(C)(C)C1Cc2c(O)c(O)ccc2[C@H](CN)O1
NC[C@@H]1OC(Cc2c(O)c(O)ccc12)C1CCCCC1
NC[C@H]1O[C@H](Cc2c(O)c(O)ccc12)c1ccccc1
Oc1ccc2[C@H](CNCC=C)OC(Cc2c1O)C1CCCCC1
NC[C@@H]1OC(Cc2c(O)c(O)ccc12)c1ccccc1
COc1ccccc1N1CCN(CCCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|
CC(=O)Nc1ccc(cc1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)[N+]([O-])=O)CC1
O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |THB:28:29:24:32.27.26,28:27:24:31.29.30|
[O-][N+](=O)c1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1
CCCCC(=O)NCCCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)CCCc2ccccc2)CC1
O=C1N(CCCCN2CCN(CC2)c2cccc3ccccc23)C(=O)c2ccccc12
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Cl)c(Cl)c2)CC1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(N)cc2)CC1
COc1ccc(OC)c(c1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(O)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)C(C)(C)C)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
Clc1cccc(N2CCN(CCC3CCN(CC3)S(=O)(=O)c3cccc4ncccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCC3CCN(CC3)S(=O)(=O)c3cncc4ccccc34)CC2)c1Cl
Clc1ccc(cc1Cl)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
O=S(=O)(N1CCC(CCN2CCN(CC2)c2ccccc2)CC1)c1cccc2ncccc12
Clc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
Fc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
Clc1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
Clc1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
Fc1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
O=S(=O)(N1CCC(CCN2CCN(CC2)c2ccccc2)CC1)c1cncc2ccccc12
Fc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
Fc1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
Clc1ccc(cc1Cl)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cccc3ncccc23)CC1
CC1(C)C(=O)Nc2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc12
CCN1C(=O)Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc12
O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc2o1
O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc2s1
O=C1Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc2N1
Nc1nc(cs1)-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
OC1C(=O)N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)CC11CCCC1
OC(CCN1C(=O)CC2(CCC(O)C2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)C1OC(=O)CC11CCCC1
OC1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
COc1ccc2snc(N3CCNCC3)c2c1
C1CN(CCN1)c1nsc2ccccc12
O=C1CCC2(C1)CC(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C(=O)C2
COc1cccc2snc(N3CCNCC3)c12
OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1nsc2ccccc12
CC[C@@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
CC[C@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
OCc1ccc(cc1Cl)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
C(N1CCN(CC1)c1ncccn1)c1c[nH]c(n1)-c1ccccc1
C(C1Cc2ccccc2C1)N1CCN(CC1)c1ccc2OCCOc2c1
Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
c1ccc2c(c1)CCO[C@H]2CCN3CCN(CC3)c4ccc(cc4)S(=O)(=O)N
Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Clc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Oc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Oc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Fc1ccc(cc1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Clc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Clc1ccc(cc1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:17|
Cc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:18|
Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Cc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCNS(=O)(=O)c2cccc(C)c2)CC1 |t:13|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCCNS(=O)(=O)c2cccc(C)c2)CC1 |t:13|
Fc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Fc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |t:13|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |t:13|
Clc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8|
Fc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
Fc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Fc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Oc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18|
Fc1ccc(cc1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Clc1ccc(cc1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:19|
Cc1cccc(c1)S(=O)(=O)NCCCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:19|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCNS(=O)(=O)c2cccc(C)c2)CC1 |t:13|
Fc1ccc2[nH]cc(C3=CCN(CCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4)CC3)c2c1 |t:8|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1 |t:13|
Clc1ccc2[nH]cc(C3=CCN(CCCCNS(=O)(=O)c4cccc5ccccc45)CC3)c2c1 |t:8|
Clc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17|
c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N
COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
COc1ccccc1OCCNCC1COC(CO1)(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC1COC(CO1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
COc1cccc(OC)c1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
COCOc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Oc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Cc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Clc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
COc1cccc(OC)c1OCCNCC1COC(CO1)(c1ccccc1)c1ccccc1
COc1cccc(OC)c1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
C(COc1ccccc1)NC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
Cc1nc2n(CCCC2(C)O)c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2ccccn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(Cl)CCCn2c(=O)c1CCN1CCN(CC1)c1nsc2ccccc12
Cc1ccc(Sc2ccccc2N2CCN(CCc3c(C)nc4C(O)CCCn4c3=O)CC2)c(C)c1
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2OC(F)(F)Oc12
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2OC(F)(F)Oc12
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1ncnc2sccc12
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1nccc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2scnc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1nsc2ccccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1noc2cc(F)ccc12
Cc1nc2n(CCCC2(C)O)c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1nc2n(CCCC2(F)F)c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1nc2C(=O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1nc2C(F)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1nc2C(=O)CCCn2c(=O)c1CCN1CCN(CC1)c1nsc2ccccc12
Cc1nc2n(CCCC2(C)O)c(=O)c1CCN1CCN(CC1)c1nsc2ccccc12
Cc1nc2C(Cl)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1ncnc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1nccc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1csc2ccsc12
Cc1nc2n(CCCC2(F)F)c(=O)c1CCN1CCN(CC1)c1nsc2ccccc12
Cc1nc2C(F)CCCn2c(=O)c1CCN1CCN(CC1)c1nsc2ccccc12
Oc1ccc(N2CCNCC2)c2OCCOc12
O=C(NC1CCCCC1)C1Cc2c(CN1)sc1ccccc21
C1CCN(CC1)C1C2CCC(C=C2)C1c1c[nH]c2ccccc12 |c:12,TLB:14:13:11.12:9.8,THB:3:6:11.12:9.8|
C1CCN(C1)C1C2CCC(C=C2)C1c1c[nH]c2ccccc12 |c:11,TLB:3:5:10.11:8.7,THB:13:12:10.11:8.7|
O=C1CC2CCC1C(C2c1ccccc1)N1CCCCC1 |TLB:15:7:1.2:5.4,THB:0:1:7.8:5.4,9:8:1.2:5.4|
O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCCC1 |TLB:18:7:1.2:5.4,THB:9:8:1.2:5.4,0:1:8.7:5.4|
O=C1CC2CCC1C(C2c1c[nH]c2ccccc12)N1CCCC1 |TLB:18:7:1.2:5.4,THB:9:8:1.2:5.4,0:1:8.7:5.4|
CCCN(CCC)C1CCc2cccc(C(=O)[CH-][N+]#N)c2C1
CCCN(CCC)C1CCc2cccc(C(=O)OC)c2C1
CCCN(CCC)C1CCc2cccc(OCC(=O)[CH-][N+]#N)c2C1
CCCN(CCC)C1CCc2cccc(OC(=O)[CH-][N+]#N)c2C1
CCCN(CCC)[C@H]1CCc2c(F)ccc(O)c2C1
CCCN(CCC)[C@@H]1CCc2c(F)ccc(O)c2C1
COc1cccc(c1)N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2C(C)=O)CC1
CC(=O)c1c(OCCCN2CCN(CC2)c2ccncc2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2cnccn2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccccc2C#N)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc2c(C)cc(=O)oc12
COc1cccc(c1)N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2C(C)=O)CC1
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccccc2F)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2C#N)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2F)ccc2c(C)cc(=O)oc12
Cc1cc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2oc1=O
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccc(Cl)cc2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccncc2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCOCC2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2cnccn2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2ccc(Cl)cc2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCOCC2)ccc2c(C)cc(=O)oc12
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(Br)cc45)CC3)c12
c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
Nc1c2CCCCc2nc2c(cccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2cc(ccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2ccc(cc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCc2nc2c(cccc12)N1CCN(CCCC(=O)c2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2cc(ccc12)N1CCN(CCCC(=O)c2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2ccc(cc12)N1CCN(CCCC(=O)c2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2cccc(N3CCN(CCCC(=O)c4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
CC(=O)Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCc2nc2cccc(N3CCN(CCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCc2nc2cccc(N3CCN(CCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(F)cc45)CC3)c12
Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(Cl)cc45)CC3)c12
Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)c12
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
CCCn1ccc(CC(C)N)c1
CC(N)Cc1c[nH]c2ccccc12
CCCCCc1cccc2c(CC(C)N)c[nH]c12
CC(N)Cc1cc[nH]c1
CCCn1cc(CC(C)N)c2cc(OC)ccc12
CCCCCCCCn1cc(CC(C)N)c2ccccc12
CC(N)Cc1cn(Cc2ccccc2)c2ccccc12
CCCc1cccc2c(CC(C)N)c[nH]c12
CCCn1cc(CC(C)N)c2ccccc12
CCCCCn1ccc(CC(C)N)c1
CCCCCn1cc(CC(C)N)c2ccccc12
COc1ccc2[nH]cc(CC(C)N)c2c1
COc1ccc2n(Cc3ccccc3)cc(CC(C)N)c2c1
Cc1[nH]c2ccc(O)cc2c1CCN
COc1ccc2[nH]c(C)c(CCN)c2c1
N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Oc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Clc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Brc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Fc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
[O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10|
FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
COc1cccc2CCC(N)Cc12
COc1cccc2CCC(Cc12)NCCc1ccccc1
C(CNC1CCc2ccccc2C1)Cc1ccccc1
C(CNC1CCc2cccc(OCc3ccccc3)c2C1)Cc1ccccc1
CCCN(CCC)C1CCc2cccc(OC)c2C1
CCCNC1CCc2cccc(OC)c2C1
COc1cccc2CCC(Cc12)NCCCc1ccccc1
COc1cccc2CCC(Cc12)N(C)Cc1ccccc1
CCCNC1CCc2ccccc2C1
COc1cccc2CCC(Cc12)N(C)CCc1ccccc1
Oc1cccc2CCC(Cc12)NCCCc1ccccc1
COc1cccc2CCC(Cc12)N(C)CCCc1ccccc1
COc1cccc2CCC(Cc12)NCCCCc1ccccc1
CCCN(C)C1CCc2cccc(OC)c2C1
CN(C)[C@H]1CCc2cccc(O)c2C1
CCN(CC)[C@@H]1CCc2cccc(O)c2C1
CN(C)[C@@H]1CCc2cccc(O)c2C1
CCCCN(CCCC)[C@@H]1CCc2cccc(O)c2C1
CCCCN(CCCC)[C@H]1CCc2cccc(O)c2C1
CCCN(CCC)[C@H]1CCc2cccc(O)c2C1
CCN(CC)[C@H]1CCc2cccc(O)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(c2C1)O
CCCCN1CCC[C@H]2[C@H]1COc1c(O)cccc21
COc1cccc2[C@H]3CCCN(C)[C@@H]3COc12
COc1cc(C)cc2OC[C@@H]3[C@H](CCCN3C)c12
CN1CCC[C@H]2[C@H]1COc1c(O)ccc(C)c21
CCCN1CCC[C@H]2[C@H]1COc1ccc(O)cc21
CCCN1CCC[C@H]2[C@H]1COc1c(O)cccc21
CCCN1CCC=C2C1COc1ccc(O)cc21 |c:6|
CCCN1CCC[C@H]2[C@H]1COc1cccc(O)c21
CCCN1CCC[C@H]2[C@H]1COc1cccc(OC)c21
COc1ccc(C)c2[C@H]3CCCN(C)[C@@H]3COc12
CCCN1CCC[C@H]2[C@H]1COc1ccccc21
CCCN1CCC=C2C1COc1cccc(OC)c21 |c:6|
CCCN1CCC=C2C1COc1ccccc21 |c:6|
CCCN1CCC[C@H]2[C@H]1COc1cc(C)cc(OC)c21
CCc1nc2c(ccnc2n1Cc1cccc(F)c1)N1CCNCC1
CCc1nc2c(ccnc2n1Cc1cccc(Cl)c1)N1CCNCC1
CC(C)c1nc2c(ccnc2n1Cc1cccc(Cl)c1)N1CCNCC1
O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
CC(C)c1nc2c(ccnc2n1Cc1cccc(F)c1)N1CCNCC1
COc1ccc(cc1)C1(C)NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(C)cc2)CC1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccccc2F)CC1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2cccc(F)c2)CC1
COc1ccc(cc1)C1(C)NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C1=O
COc1ccc(cc1)C1(C)NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(Cl)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(Br)cc1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccccc2)CC1
CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccccc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(Cl)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(Cl)cc1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)CC1
OC(CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccc1C#N
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(Br)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccccc1
CC(C)Oc1ccccc1N1CCNCC1
CCc1ccccc1N1CCNCC1
Fc1cccc(c1)N1CCNCC1
Oc1ccccc1N1CCNCC1
N#Cc1ccccc1N1CCNCC1
CCCCc1ccccc1N1CCNCC1
c1ccc(cc1)N2CCNCC2
Clc1cncc(n1)N1CCNCC1
CC(C)c1ccccc1N1CCNCC1
CCCc1ccccc1N1CCNCC1
CCOc1ccccc1N1CCNCC1
CCCCOc1ccccc1N1CCNCC1
Cc1ccccc1N1CCNCC1
Fc1ccccc1N1CCNCC1
O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
CC(NCc1cc(Br)ccc1OCc1ccc(C)cc1)c1ccccc1
CC(CC(C)(C)c1ccc(C)o1)NCc1ccc(cc1)C(F)(F)F
COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
COc1ccc(CNCCC(c2ccco2)c2ccccc2OC)cc1
FC(F)(F)C1(Nc2ccccn2)N=C(N(Cc2ccccc2)C1=O)c1ccccc1 |c:13|
CC(NCCC(c1ccco1)c1ccc(F)cc1)c1ccc(C)cc1
CCC1(C)CC(CCNCc2ccccc2)(CCO1)c1ccc(C)cc1
CCC1(C)CC(CCNCc2ccc(OC)c(OC)c2)(CCO1)c1ccc(C)cc1
COc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1 |t:9|
CC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
CC(NCCC(c1ccco1)c1ccc(C)cc1)c1ccc(Cl)cc1
O[C@H](CCN1CCc2onc(c2C1)-c1ccc(F)c(F)c1)c1ccccc1 |r|
O=C1N(CCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
COc1cccc2CCC(Cc12)NCCN1C(=O)c2ccccc2C1=O
O=C1N(CCCCNCCCOc2cccc3ccccc23)C(=O)c2ccccc12
O=C1N(CCCCCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
CN(C)CCc1ccccc1
COc1cccc2CCC(Cc12)NCCCN1C(=O)c2ccccc2C1=O
CN(CCCCN1C(=O)c2ccccc2C1=O)CCc1ccccc1
COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
COc1ccc2[nH]cc(CCNCCCCN3C(=O)c4ccccc4C3=O)c2c1
COc1ccc2cccc(N3CCNCC3)c2c1
O=C1N(CCCCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
O=C1N(CCCCNCCc2ccccc2)C(=O)c2ccccc12
COc1ccccc1CCCN(C)CCCCN1C(=O)c2ccccc2C1=O
COc1ccccc1CCCNCCCCN1C(=O)c2ccccc2C1=O
O=C1N(CCCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
O=C1N(CCCCNCCCc2ccccc2)C(=O)c2ccccc12
COc1ccc2ccccc2c1N1CCNCC1
COc1ccccc1CCCN(C)C
O=C1N(CCCNCCCOc2cccc3ccccc23)C(=O)c2ccccc12
O=C1N(CCNCCCOc2cccc3ccccc23)C(=O)c2ccccc12
CCCN(CCC)[C@H]1CCCc2cccc(O)c2C1
CCCN(CCC)[C@@H]1CCCc2cccc(O)c2C1
CC(C)c1ccccc1OCC(C)N1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCC(O)CN1CCC(CC1)NS(=O)(=O)c1cccc(F)c1
OC(COc1ccccc1-c1ccccc1)CN1CCC(CC1)NS(=O)(=O)c1cccc(Cl)c1
OC(COc1ccccc1-c1ccccc1)CN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCC(C)N1CCC(CC1)NS(=O)(=O)c1cccc(F)c1
CC(COc1ccccc1-c1ccccc1)N1CCC(CC1)NS(=O)(=O)c1cccc(Cl)c1
CC(COc1ccccc1-c1ccccc1)N1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCCCN1CCC(CC1)NS(=O)(=O)c1cccc(F)c1
Clc1cccc(c1)S(=O)(=O)NC1CCN(CCCOc2ccccc2-c2ccccc2)CC1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCCOc2ccccc2-c2ccccc2)CC1
CC(C)c1ccccc1OCC(O)CN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
O=C(NCCCN1CCN(CC1)C(=O)c1ccco1)c1ccccn1
Fc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
O=C(NCCN1CCN(CC1)c1ncccn1)c1ccccn1
Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccccn2)CC1)c1ccc(F)cc1
COc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
O=C(NCCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1
CC(CNC(=O)c1ccccn1)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Cc1cccc(N2CCN(CCCNC(=O)c3ccccn3)CC2)c1C
Clc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
Clc1cccc(c1)N1CCN(CCCNC(=O)c2ccccn2)CC1
Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccccn2)CC1
Clc1ccc(cc1Cl)N1CCN(CCCNC(=O)c2ccccn2)CC1
Fc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccccn2)CC1
O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccccn1
O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccccn1
O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccn1
Clc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccccn2)CC1)c1ccccc1
Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccccn2)CC1)c1ccc(F)cc1
O=C(NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
CCN(CC)C1CCc2cccc(O)c2C1
O=C(NCCN1CCN(CC1)c1ccccc1)c1ccccn1
COc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
COc1ccc(cc1)N1CCN(CCNC(=O)c2ccccn2)CC1
CCOc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
O=C(NCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1
FC(F)(F)c1cccc(c1)N1CCN(CCNC(=O)c2ccccn2)CC1
Cc1cccc(N2CCN(CCNC(=O)c3ccccn3)CC2)c1C
Clc1ccccc1N1CCN(CCNC(=O)c2ccccn2)CC1
Clc1cccc(c1)N1CCN(CCNC(=O)c2ccccn2)CC1
Clc1ccc(cc1)N1CCN(CCNC(=O)c2ccncc2)CC1
Clc1ccc(cc1Cl)N1CCN(CCNC(=O)c2ccccn2)CC1
Fc1ccc(cc1)N1CCN(CCNC(=O)c2ccccn2)CC1
O=C(NCCN1CCN(CC1)c1ccccn1)c1ccccn1
O=C(NCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccn1
O=C(NCCN1CCN(CC1)C(=O)c1ccco1)c1ccccn1
Clc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccccn2)CC1)c1ccccc1
O=C(NCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1
O=C(NCCCN1CCN(CC1)c1ccccc1)c1ccccn1
COc1ccc(cc1)N1CCN(CCCNC(=O)c2ccccn2)CC1
CCOc1ccccc1N1CCN(CCCNC(=O)c2ccccn2)CC1
OC(CN1CCN(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
Clc1ccc(CCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1Cl
Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3
OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
Clc1ccc(CCN2CCN(CC2)c2nsc3ccccc23)cc1Cl
COc1ccccc1N1CCN(CCC(O)c2csc3ccc(F)cc23)CC1
COc1ccccc1N1CCN(CCCN2CCOc3ccccc23)CC1
Nc1cccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Nc1ccc(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1I
FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCc2cccc(c2)N=[N+]=[N-])CC1
CCCN(CCC)C1CCc2ccccc2C1
CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2Cl)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2cccc(F)c2)ccc2c(C)cc(=O)oc12
COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2C(C)=O)CC1
CC(=O)c1c(OCCCN2CCN(CC2)c2cc(C)cc(C)c2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2Br)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2cccc(F)c2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccccc2Cl)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2cc(C)cc(C)c2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2cccc(Br)c2)ccc2c(C)cc(=O)oc12
COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2C(C)=O)CC1
CC(=O)c1c(OCCCN2CCN(CC2)c2cc(C)ccc2C)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2cccc(Br)c2)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccccc2C(F)(F)F)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCN2CCN(CC2)c2ccccc2C(F)(F)F)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2ccccc2Br)ccc2c(C)cc(=O)oc12
CC(=O)c1c(OCCCCN2CCN(CC2)c2cc(C)ccc2C)ccc2c(C)cc(=O)oc12
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2ccc3ccsc3c2)n1
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)n1
CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)n1
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2cc(ccn2)C(=O)NC2CC2)CC1
CNC(=O)c1ccnc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
CNC(=O)c1cncc(OCCCCN2CCN(CC2)c2nsc3cc(F)ccc23)c1
CCNC(=O)c1cncc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccn1
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccnc(c2)C(=O)NC2CC2)CC1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccn1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc3sccc23)ccn1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc3sc(F)cc23)ccn1
CNC(=O)c1cncc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
CNC(=O)c1ccnc(OCCCCN2CCN(CC2)c2nsc3cc(F)ccc23)c1
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2cncc(c2)C(=O)NC2CC2)CC1
NC(=O)c1cc(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccn1
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2nsc3cc(F)ccc23)n1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccn1
CCNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccn1
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc3sccc23)n1
CCNC(=O)c1ccnc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
O=C(NC1CC1)c1cc(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccn1
CCCN(CCC)CCc1c[nH]c2ccc(O)cc12
CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|
CCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:12|
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(S[C@@H]1C)c1ccccc1O |r,c:16|
Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(S1)c1ccccc1 |t:8|
CCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:14|
CCCCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:16|
C[C@@H]1SC(=N[C@@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1O |r,c:3|
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1 |r,c:3|
Cc1cc(OCCCN2CCN(CC2)c2ccccc2)ccc1Cl
Cc1cc(C)c(OCCOCCN2CCN(CCc3ccccc3)CC2)c(C)c1
COc1ccccc1N1CCN(CCOCCOc2c(C)cc(C)cc2C)CC1
COc1ccccc1N1CCN(CCOCCOc2cc(C)cc(C)c2C)CC1
Cc1cc(C)c(OCCN2CCN(CCOCCO)CC2)c(C)c1
COc1ccccc1N1CCN(CCCOc2c(C)cccc2C)CC1
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1
COc1ccc(cc1)N1CCN(CCCOc2c(C)cc(C)cc2C)CC1
COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1
Clc1ccccc1N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1cccc(c1)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccc(cc1)C(=O)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccc(cc1)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccc(cc1)N1CCN(CCCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccc(cc1Cl)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Fc1ccc(cc1)C1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Fc1ccc(cc1)N1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
Clc1ccc(OC2CCN(CCN3CCC4(C3)C(=O)Nc3ccccc43)CC2)cc1
O=C1Nc2ccccc2C11CCN(CCN2CCN(CC2)c2ccccc2)C1
Fc1ccc(cc1)C1=CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1 |t:8|
Clc1ccc(cc1)C1CCN(CCN2CCC3(C2)C(=O)Nc2ccccc32)CC1
COc1cccc(CCN2CCN(CC2)c2ccccc2OC)c1
CCc1cc(nc(n1)N1CCN(C)CC1)-c1ccoc1
COc1cccc(CCN2CCN(CC2)c2ccccc2-c2ccccc2)c1
CCCCc1cc(nc(n1)N1CCN(C)CC1)-c1ccoc1
Fc1ccc(cc1)-c1noc2CCNCCc12
Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Clc1ccc(cc1)-c1noc2CCNCCc12
Cc1ccc(cc1)-c1noc2CCNCCc12
Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
FC(F)(F)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Brc1ccc(I)c(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
CC(C)c1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1ccccc1
Cc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Clc1ccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)cc1
Ic1ccccc1S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Brc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Clc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Clc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Brc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
CC(C)(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
Brc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
Ic1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
CC(C)(C)c1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
O=S(=O)(NC1CCN(CCOc2cccc(c2)-c2ccccc2)CC1)c1ccccc1
Brc1ccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)cc1
Clc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2cccc(Br)c2)CC1
Brc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2cccc(Br)c2)c1
Clc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2cccc(Br)c2)CC1
Ic1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccccc1
FC(F)(F)c1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
Brc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2Br)c1
Clc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Brc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Clc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
Cc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1
Brc1cccc(OCCN2CCC(CC2)NS(=O)(=O)c2ccccc2)c1I
Brc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2cccc(Br)c2)CC1
Clc1ccccc1S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Brc1ccccc1S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
NCCCCN1CCN(CC1)c1ccccc1
CC(=O)NCCCCN1CCN(CC1)c1ccccc1
C1CN(CCN1)c1ncccn1
C1CN(CCN1)c1cccc2ccccc12
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccccc1
COc1ccc(Cl)cc1N1CCNCC1
O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)c2ccccc12
C1CN(CCN1)c1ccc2ccccc2c1
O=C(NCCCCN1CCN(CC1)c1ncccn1)c1ccccc1
C1CC(CCN1)c1ccccc1
COCCOc1cc(CC2CCN(CCc3ccc4OCCS(=O)(=O)c4c3)CC2)ccc1Br
COCCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COCCOc1cc(Br)cc(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COCCOc1cc(CC2CCN(CCc3ccc4OCCOc4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4OCCCc4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4CCCOc4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4CCCC(=O)c4c3)CC2)ccc1Br
COCCOc1cc(Br)cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)c1
COCCOc1cccc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)c1
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1Cl
CCc1ccc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)cc1OCCOC
COCCOc1cc(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4C(=O)CCOc4c3)CC2)ccc1Br
COCCOc1cc(Br)cc(CC2CCN(CCc3ccc4OCCOc4c3)CC2)c1
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1F
COCCOc1cccc(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1Br
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4OCCCC(=O)c4c3)CC2)ccc1Br
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1I
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1C(C)C
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(=O)c4c3)CC2)ccc1C
COCCOc1cc(CC2CCN(CCc3ccc4OCCC(O)c4c3)CC2)ccc1Br
CCCCN1CCC(C1)c1cccc(O)c1
CCCCCN1CCC(C1)c1cccc(O)c1
CN(C)c1ccc(cc1)C(=O)NCCCCN1CCC(C1)c1cccc(O)c1
CCCCCCN1CCC(C1)c1cccc(O)c1
CCCCCCCN1CCC(C1)c1cccc(O)c1
CCCCCCCCCN1CCC(C1)c1cccc(O)c1
CCCCCCCCCCN1CCC(C1)c1cccc(O)c1
CCCCCCCCN1CCC(C1)c1cccc(O)c1
Clc1ccc2[nH]cc(C3=CCN(CC[C@H]4CCCN4S(=O)(=O)c4cccc5ncccc45)CC3)c2c1 |r,t:8|
O=c1[nH]c2c(cccc2o1)N1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
O=S(=O)(N1CCCCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1ccnc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1noc2ccccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2OCCOc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCCCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
Clc1ccc2[nH]cc(C3=CCN(CC[C@@H]4CCCN4S(=O)(=O)c4cncc5ccccc45)CC3)c2c1 |r,t:8|
O=c1[nH]c2c(cccc2o1)N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
Fc1ccc2c(noc2c1)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
CCCCN(CCC)C1CCc2cccc(O)c2C1
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
O=S(=O)(N1CCCCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCCCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1ccnc2ccccc12 |r|
O=S(=O)(N1CCCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2[nH]ccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1noc2ccccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Fc1ccc2c(noc2c1)C1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ncccc23)CC1 |r|
Clc1ccc2[nH]cc(C3=CCN(CC[C@H]4CCCN4S(=O)(=O)c4cncc5ccccc45)CC3)c2c1 |r,t:8|
Clc1ccc2[nH]cc(C3=CCN(CC[C@@H]4CCCN4S(=O)(=O)c4cccc5ncccc45)CC3)c2c1 |r,t:8|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2OCCOc12)c1cccc2ncccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2OCCOc12)c1cccc2ncccc12 |r|
O=c1[nH]c2c(cccc2o1)N1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cncc3ccccc23)CC1 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1noc2ccccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2OCCOc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cccc2cnccc12 |r|
O=S(=O)(N1CC[C@@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ncccc12 |r|
Fc1cccc(c1)-c1ccc(F)cc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1
Fc1cccc(c1)-c1ccccc1N1CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Fc1cccc(c1)-c1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1cccc(c1)-c1cc(F)ccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1cc2CCCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1
Fc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3ccccc3-c3ccccc3F)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3ccccc3-c3ccccc3)c2c1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1
Fc1cccc(c1)-c1c(F)cccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCC(CC3)c3noc4cc(F)ccc34)C(=O)[C@]21[H] |r|
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@@]21[H] |r,c:5|
Fc1cccc2C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)c12
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@]21[H] |r|
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@@]21[H] |r,c:5|
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sc(F)cc34)C(=O)[C@@]21[H] |r,c:5|
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4ccsc34)C(=O)[C@@]21[H] |r,c:5|
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4OC(F)(F)Oc34)C(=O)[C@@]21[H] |r,c:5|
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@@]21[H] |r,c:5|
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@@]21[H] |r,c:5|
CC1(C)C2C1C(=O)N(CCCCN1CCN(CC1)c1cccc3sccc13)C2=O
O=C1C2CCCC2C(=O)N1CCCCN1CCN(CC1)c1cccc2sccc12
OC1CC2C(CC1O)C(=O)N(CCCCN1CCN(CC1)c1cccc3sccc13)C2=O
[H][C@]12C[C@]([H])([C@H](OC(C)=O)[C@@H]1OC(C)=O)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@@]21[H] |r|
O=C1N(CCCCN2CCN(CC2)c2cccc3sccc23)C(=O)c2ccccc12
Fc1ccc2C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)c2c1
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc3sccc23)C(=O)C1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1cccc2sccc12
O=C1C2CC=CCC2C(=O)N1CCCCN1CCN(CC1)c1cccc2sccc12 |c:4|
Clc1ccc2C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)c2c1
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCN(CC3)c3ccc4ccsc4c3)C(=O)[C@]21[H] |r|
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4scnc34)C(=O)[C@@]21[H] |r,c:5|
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3nsc4ccccc34)C(=O)[C@@]21[H] |r,c:5|
Cc1ccc(cc1)C12CC1C(=O)N(CCCCN1CCN(CC1)c1cccc3sccc13)C2=O
[H][C@]12C[C@]([H])([C@H](O)[C@@H]1O)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@@]21[H] |r|
O=C1CC2(CCCCC2)CC(=O)N1CCCCN1CCN(CC1)c1cccc2sccc12
Clc1cccc2C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)c12
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4OCCOc34)C(=O)[C@@]21[H] |r,c:5|
O=C1C2CCCCC2C(=O)N1CCCCN1CCN(CC1)c1cccc2sccc12
CCC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc3sccc23)C(=O)C1
OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F)(F)F)Cl)O)c4ccc(cc4)F)F
[#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F
Fc1ccc2c(noc2c1)C1CCN(CCCC(=O)c2cc3CCN4c3c(CCC4=O)c2F)CC1
Fc1ccc2c(noc2c1)C1CCN(CCC(=O)c2cc3CCCN4C(=O)CCc(c2)c34)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCCc2cc3CCN4c3c(CCC4=O)c2)CC1
Clc1cccc(N2CCN(CCCC(=O)c3cc4CCN5c4c(CCC5=O)c3)CC2)c1Cl
Fc1ccc2c(noc2c1)C1CCN(CCCCc2cc3CCCN4C(=O)CCc(c2)c34)CC1
OC(CCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCCN3C(=O)CCc(c1)c23
OC(CCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCCN3C(=O)CCc(c1)c23
Clc1cccc(N2CCN(CCCCc3cc4CCCN5C(=O)CCc(c3)c45)CC2)c1Cl
Clc1cccc(N2CCN(CCCc3cc4CCCN5C(=O)CCc(c3)c45)CC2)c1Cl
Fc1ccc2c(noc2c1)C1CCN(CCCc2cc3CCCN4C(=O)CCc(c2)c34)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
Cc1cccc(N2CCN(CCCC(=O)c3cc4CCCN5C(=O)CCc(c3)c45)CC2)c1C
OC(CCCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
OC(CCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
Fc1ccc2c(noc2c1)C1CCN(CCCCc2cc3CCN4c3c(CCC4=O)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCc2cc3CCN4c3c(CCC4=O)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
O=C(CCCN1CCN(CC1)c1nsc2ccccc12)c1cc2CCN3c2c(CCC3=O)c1
O=C(CCN1CCN(CC1)c1nsc2ccccc12)c1cc2CCN3c2c(CCC3=O)c1
Fc1cc(ccc1N1CCN(CCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1)C#N
Clc1cccc(N2CCN(CCC(=O)c3cc4CCN5c4c(CCC5=O)c3)CC2)c1Cl
O=C(CCN1CCN(CC1)c1ccccc1)c1cc2CCCN3C(=O)CCc(c1)c23
O=C(CCN1CCN(CC1)c1ccccn1)c1cc2CCCN3C(=O)CCc(c1)c23
Cc1cccc(N2CCN(CCC(=O)c3cc4CCCN5C(=O)CCc(c3)c45)CC2)c1C
Clc1cccc(N2CCN(CCC(=O)c3cc4CCCN5C(=O)CCc(c3)c45)CC2)c1Cl
O=C(CCN1CCC(CC1)c1nc2ccccc2s1)c1cc2CCCN3C(=O)CCc(c1)c23
Clc1cccc(N2CCN(CCCC(=O)c3cc4CCCN5C(=O)CCc(c3)c45)CC2)c1Cl
Fc1ccc2c(noc2c1)C1CCN(CCCC(=O)c2cc3CCCN4C(=O)CCc(c2)c34)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCCN4C(=O)CCc(c2)c34)CC1
Clc1ccc(cc1)N1CCN(CCC(=O)c2cc3CCCN4C(=O)CCc(c2)c34)CC1
CC1CC(=O)N2CCCc3cc(cc1c23)C(=O)CCCN1CCC(CC1)c1noc2cc(F)ccc12
OC(CCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
Fc1ccc2c(noc2c1)C1CCN(CCCC(=O)c2cc3CCC(=O)N4CCc(c34)c2F)CC1
Fc1ccc2c(noc2c1)C1CCN(CCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
Cc1cccc(N2CCN(CCC(=O)c3cc4CCN5c4c(CCC5=O)c3)CC2)c1C
CC1CC(=O)N2CCCc3cc(CCCCN4CCC(CC4)c4noc5cc(F)ccc45)cc1c23
Fc1ccc2c(noc2c1)C1CCN(CC(=O)c2cc3CCCN4C(=O)CCc(c2)c34)CC1
COc1ccccc1N1CCN(CCC(=O)c2cc3CCCN4C(=O)CCc(c2)c34)CC1
O=C1CCc2cc(CCCCN3CCN(CC3)c3nsc4ccccc34)cc3CCCN1c23
O=C(CCN1CCN(CC1)c1ncccn1)c1cc2CCCN3C(=O)CCc(c1)c23
O=C(CCN1CCN(CC1)c1nsc2ccccc12)c1cc2CCCN3C(=O)CCc(c1)c23
O=C(CCCN1CCN(CC1)c1nsc2ccccc12)c1cc2CCCN3C(=O)CCc(c1)c23
COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
COc1ccc(cc1N1CCN(C)CC1)C(=O)Nc1ccc(cc1)-c1ccc(cc1C)-c1noc(C)n1
COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccc(cc1C)C(O)=O
COc1ccc(NC(=O)c2ccc(cc2)-c2ccncc2)cc1N1CCN(C)CC1
CCOc1ccc(NC(=O)c2ccc(OC)c(CCCN(C)C)c2)cc1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(=O)N(C)C)cc1N1CCN(C)CC1
COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccc(C=O)cc1C
CN1CC[C@@H]2CN3CCc4cccc([C@@H]2C1)c34 |r|
CC1=CC(=O)N(CCN2CCN(CC2)c2cccc3OCCOc23)C1=O |t:1|
CC1CC(=O)N(CCN2CCN(CC2)c2cccc3OCCOc23)C1=O
O=C1C2CCCCC2C(=O)N1CCN1CCN(CC1)c1cccc2OCCOc12
O=C1N(CCN2CCN(CC2)c2cccc3OCCOc23)C(=O)c2ccccc12
O=C1C=CC(=O)N1CCN1CCN(CC1)c1cccc2OCCOc12 |c:2|
CC1(C)CC(=O)N(CCN2CCN(CC2)c2cccc3OCCOc23)C(=O)C1
O=C1C2CC=CCC2C(=O)N1CCN1CCN(CC1)c1cccc2OCCOc12 |c:4|
O=C1CCC(=O)N1CCN1CCN(CC1)c1cccc2OCCOc12
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1cccc2OCCOc12
O=C1CCCC(=O)N1CCN1CCN(CC1)c1cccc2OCCOc12
O=C1N(CCN2CCN(CC2)c2cccc3OCCOc23)C(=O)C2=C1CCCC2 |c:26|
Cc1ccc2C(=O)N(CCN3CCN(CC3)c3cccc4OCCOc34)C(=O)c2c1
CCCN(CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
CCCN(CCC)C1CCc2cccc(C#C)c2C1
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccccc1 |c:4|
CNCC(O)CO
C1Cc2ccccc2C1N1CCN(CC1)c1cccc2OCCOc12
COc1cccc2CCC(Cc12)N1CCCCC1
COc1c(Cl)cccc1N1CCNCC1
CCCCC(=O)c1cccc2CCC(Cc12)N(CCC)CCC
CCCCCCCCN1CCN(CC1)c1ccccc1
CC(O)CN(CC(C)O)CC(O)COc1cccc2ccccc12
CN1CCN(CC1)c1cccc2ccoc12
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[S+](C)[O-] |c:4|
COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
CCCN1CCN(CC1)c1cccc2ccoc12
CN1CCC(=CC1)c1c[nH]c2ccc(CO)cc12 |c:4|
CC(C)NCC(O)COc1ccccc1OCC=C
CC(C)(C)NCC(O)COc1ccc2C[C@@H](O)[C@@H](O)Cc2c1
CCCCN1CCN(CC1)c1cccc2ccoc12
COc1ccccc1N1CCN(CCCCNC(=O)C(C)c2ccccc2)CC1
COc1ccc2cccc(N3CCN(CCNC(=O)c4cccs4)CC3)c2c1
CCCN(CCC)CC(O)COc1cccc2ccccc12
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1
O=C1CN=C(C=C1)c1[nH]c2ccccc2c1C1=CCNCC1 |c:3,5,t:19|
CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
CCCN(CCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
CCCN(CCCCN1CCOCC1)C1COc2cccc(OC)c2C1
CC(C)N1CCN(CC1)c1cccc2ccoc12
CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
O=C1CC2(CCCC2)CC(=O)N1CCCN1CCN(CC1)c1ncccn1
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1 |r|
CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
C(C1CC1)N1CCN(CC1)c1cccc2ccoc12
CN1CCC(=CC1)c1c[nH]c2ccc(O)cc12 |c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C1COCCO1 |c:4|
CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1
CNCCc1c[nH]c2ccc(O)cc12
CCCN(CCC)C1COc2ccc(CCC)c(CCC)c2C1
CCCN(CCC)C1CCc2cccc(C(N)=O)c2C1
CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
CN(C)CCc1c[nH]c2cc3OCCCc3cc12
CCCCN1CCN(CC1)c1cccc2OCCOc12
CC(C)NCC(O)COc1ccccc1
CCN1CCN(CC1)c1cccc2OCCOc12
COc1cccc2OCC(Cc12)N1CCCC1
CCCCCCCCN1CCN(CC1)c1cccc2ccoc12
NCCc1c[nH]c2c(O)cc(O)cc12
COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |c:4|
CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
CCCCCCCCN1CCN(CC1)c1cccc2OCCOc12
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccc(F)cc1 |c:4|
Oc1ccc2cccc(N3CCNCC3)c2c1
CCCN(CCC)C1CCc2cccc(C(C)=O)c2C1
CN1CCC(=CC1)c1c[nH]c2ccc(OC(C)=O)cc12 |c:4|
CCCN1CCC(=CC1)c1c[nH]c2ccc(NC(C)=O)cc12 |c:6|
Clc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
CC(C)(C)NCC(O)COc1cccc2CCC(=O)Nc12
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1cccs1 |c:4|
CN(C)CC(O)CO
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ncccn1
CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1
CCCOCOCCc1ccc(OCC(O)CNC(C)C)cc1
COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:9|
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccccn2)C(=O)C1
C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(c1)C(N)=O
COc1ccccc1N1CCN(CCc2ccccc2)CC1
C(C1CCCCC1)N1CCN(CC1)c1cccc2OCCOc12
CCCN(CCC)C1CCc2cccc(CO)c2C1
CCCN1CCN(CC1)c1cccc2OCCOc12
CC(C)NCC(O)COc1ccccc1-n1cccc1
CC(CN)c1c[nH]c2ccc(O)cc12
CN1CCC(=CC1)c1c[nH]c2ccc(N)cc12 |c:4|
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
CCCN(CCC)C1CCc2cccc(C)c2C1
CC(C)NCC(O)COc1cccc2[nH]c(cc12)C#N
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:4|
C(C1CCCCC1)N1CCN(CC1)c1cccc2ccoc12
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(C)(C)O |c:4|
NCCc1c[nH]c2cccc(O)c12
CCCN(C1COc2cccc(OC)c2C1)N1C(=O)C2CCCC2C1=O
C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
O=C1N(CCCCN2CCN(CC2)c2ccccn2)S(=O)(=O)c2ccccc12
CCCN(C1COc2cccc(OC)c2C1)N1C(=O)c2ccccc2S1(=O)=O
CCCN(CCC)C1CCc2cccc(C(=O)C3CCCCC3)c2C1
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(NS(C)(=O)=O)cc12 |c:4|
CCCCCN1CCN(CC1)c1cccc2OCCOc12
Clc1cccc(c1)N1CCN(CC1)C1CC1
COc1ccccc1N1CCN(CCCCc2ccccc2)CC1
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1cccnc1 |c:4|
CN1CCC(=CC1)c1cn(Cc2ccccc2)c2ccccc12 |c:4|
CCCN1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:6|
CCOC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:12|
CN1CCC(=CC1)c1c(C)[nH]c2ccccc12 |c:4|
CC(C)NCC(O)COc1ccc(C)c2CCCc12
O\C(N1CCN(CCNC(=O)c2ccc(F)cc2)CC1)=C1/COCCO1
COc1ccccc1OCC(O)CN(C)C
CCCCN(CCCC)CC(O)COc1cccc2ccccc12
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(C)=O |c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccccn1 |c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccncc1 |c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)S(C)(=O)=O |c:4|
CCCN(CCC)C1CCc2cccc(C#N)c2C1
COc1ccccc1N1CCN(CCCCNC2CC3CCC2C3)CC1 |TLB:16:17:23:21.20|
CC(O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:10|
CCCN1CCC(=CC1)c1c[nH]c2ccc(OC)cc12 |c:6|
NCCc1c[nH]c2cc(O)ccc12
CCCN(CCC)C1CCc2cccc(C(O)=O)c2C1
CCCCN1CCN(CC1)c1cccc2ccccc12
CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(O)c2C1
COc1ccccc1N1CCN(CCCc2ccccc2)CC1
CC(C)NCC(O)COc1ccc(CCOCCOC(C)C)cc1
CCCCCCCCCCN1CCN(CC1)c1cccc2ccoc12
CCCN(CCC)C1CCc2cccc(C3CCCCC3)c2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
CCCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:6|
COCCc1ccc(OCC(O)CNC(C)C)cc1
CCCN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(=O)OC |c:6|
CNCC(COc1cccc(c1)C(F)(F)F)c1ccccc1
CN1CCC(=CC1)c1c[nH]c2ccc(C)cc12 |c:4|
CCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1
CN1CCC(=CC1)c1c[nH]c2ccc(NC(C)=O)cc12 |c:4|
C1CCC(CC1)N1CCN(CC1)c1cccc2ccoc12
CCCCN1CCN(CC1)c1ccccc1OC
C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCCCC1
CCCN(CCC)C1COc2cccc(OC)c2C1
CCCN(CC=C)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
COc1ccccc1N1CCN(CCCOc2cccc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCNCc2ccccc2)CC1
COC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:11|
CCCN(CCC)CC(O)CO
CSc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:9|
CCCN(CCNC(C)=O)C1COc2cccc(OC)c2C1
CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
CC(C)NC[C@@H](COc1ccccc1CC=C)O
CN(C)CC(O)COc1cccc2ccccc12
O=C1N(CCCCN2CCN(CC2)c2ccccn2)C(=O)c2ccccc12
COc1ccccc1N1CCN(CCCCCc2ccccc2)CC1
Clc1cccc(c1)N1CCN(CC1)C=C=C
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccsc1 |c:4|
CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(C)=O
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
CCCN(CCCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
CCCCCCN1CCN(CC1)c1cccc2ccoc12
CC(C)CN1CCN(CC1)c1cccc(Cl)c1
CCCCCN1CCN(CC1)c1cccc2ccoc12
CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
CCCN(CCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
CCCCCCN1CCN(CC1)c1cccc2OCCOc12
CN1CCC(=CC1)c1c[nH]c2ccc(OCc3ccccc3)cc12 |c:4|
COc1ccccc1N1CCN(CCCCNc2ccc([N+]([O-])=O)c3nonc23)CC1
CCCN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:6|
CCCN(CCC)C1COc2ccccc2C1
CN1CCN(CC1)c1cccc2OCCOc12
CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:4|
COc1ccc2[nH]c(C)c(C3=CCN(C)CC3)c2c1 |t:10|
CCCN(CCC)C1COc2cccc(O)c2C1
CN(C)CC(O)COc1ccccc1O
CC(C)NCC(O)COc1cccc2[nH]c(OC(=O)OC(C)C)cc12
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N1C(=O)c2ccccc2C1=O |c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:4|
CN1CCC(=CC1)c1c[nH]c2ccc(Br)cc12 |c:4|
COc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
NCCc1c[nH]c2ccc(N)cc12
COc1cc2c(cc1OC)nc(nc2N)N3CCN([C@@H]4[C@H]3CCCC4)C(=O)c5ccco5
[H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)c1ccco1)c1nc(N)c2cc(OC)c(OC)cc2n1
OC(CC=N)CC1CCN(CC1)c1ccccc1Oc1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(C2CCCCC12)C(=O)c1ccco1
CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C
COc1cccc2n(Cc3ccccc3)c(nc12)N1CCNCC1
C1CC1n1c(nc2ccccc12)N1CCNCC1
Oc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
Clc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1Cl
CCn1c(nc2ccccc12)N1CCNCC1
C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1
Fc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
COc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
Cc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1C
Clc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
CCCn1c(nc2ccccc12)N1CCNCC1
Oc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
Cn1c(nc2ccccc12)N1CCNCC1
Cc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
COc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
COc1cccc2nc(N3CCNCC3)n(Cc3ccccc3)c12
Cc1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Fc1cccc(c1)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)C(=O)NCCNCc1cccc(n1)-n1cccn1 |TLB:5:3:11:9.6.8,THB:5:6:11:12.3.2,2:3:9:11.1.8,2:1:9:12.3.5|
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)N2CCC2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2ccccc2)CC1
COC(=O)c1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
NC(=O)c1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccnc2)CC1
Fc1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
CN(C)c1ccnc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2cc[nH]n2)CC1
COc1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2ccnc2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2ncc[nH]2)CC1
CCOc1cccc(c1)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
FC(F)(F)c1cccc(c1)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
CCCN(C)c1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Cc1cccc(c1)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
CCCCOc1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Cc1cccc(c1)C(=O)NCCCCNCc1cccc(n1)-n1cccn1
Fc1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Clc1ccnc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
CN(CCCCNCc1cccc(n1)-n1cccn1)C(=O)c1ccccc1
CN(C)c1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
COc1ccc2[nH]cc(CCNCc3cccc(n3)-n3cccn3)c2c1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2cccs2)CC1
COc1ccc(CCNCc2cccc(n2)-n2cccn2)cc1
Clc1ccc(cc1Cl)C(=O)N1CCCC(CNCc2cccc(n2)-n2cccn2)C1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cc(ccn2)-n2cccn2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCCc2cccc(n2)-n2cccn2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(c2)-n2cccc2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCCc2ccccn2)CC1
CSc1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
O=C(C1CCCCC1)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCCc2cccnc2)CC1
CNc1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Cc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
Clc1cccc(C(=O)N2CCC(CNCc3cccc(n3)-n3cccn3)CC2)c1Cl
Clc1ccc(cc1)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
Clc1cc(Cl)cc(c1)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
Clc1cccc(c1)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
CN(C)c1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2cnco2)CC1
Cn1c(=O)cnn(CCCCNCc2cccc(n2)-n2cccn2)c1=O
Clc1ccccc1C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCCCc2ccccn2)CC1
Clc1cccc(c1)C(=O)NCC1CCN(Cc2cccc(n2)-n2cccn2)CC1
Clc1ccc(cc1Cl)C(=O)NCC#CCNCc1cccc(n1)-n1cccn1
Clc1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2cccc2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)C#N)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2ccccn2)CC1
CC(C)c1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
C[S+]([O-])c1cccc(CNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCCc2ccncc2)CC1
Clc1ccc(CN2CCC(CNCc3cccc(n3)-n3cccn3)CC2)cc1Cl
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2ccco2)CC1
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(C2)(C3)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1 |TLB:8:6:12:11.1.2,8:1:12:9.6.5,5:3:11:9.6.8,THB:5:6:11:12.3.2|
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)N2CCCC2)CC1
Fc1cccc(CCNCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
O=C(N1CCC(CNCc2cccc(n2)-n2cccn2)CC1)c1ccccc1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)C2CCCN2)CC1
COc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-c2nccs2)CC1
Fc1ccc(cc1)C(CCCNCc1cccc(n1)-n1cccn1)c1ccc(F)cc1
Clc1ccc(cc1Cl)S(=O)(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)CC1
O=C(N1CCC(CNCc2cccc(n2)-n2cccn2)CC1)c1cccc(c1)C#N
CCCN(CCC)Cc1cccc(n1)-n1cccn1
CN(C)CCc1c([nH]c2ccc(CCN3C(=O)CNC3=O)cc12)C(=O)NCc1ccccc1
CN(C)CCc1c([nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc12)C(=O)NCc1ccccc1
COc1cccc(OC)c1OCCNCC1C(Oc2ccccc2C1=O)c1ccccc1
COc1cccc(OC)c1OCCNCC1=Cc2ccccc2OC1c1ccccc1 |t:16|
COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
COc1cccc(OC)c1OCCNCC1C(Cc2ccccc2C1=O)c1ccccc1
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
COc1cccc(OC)c1OCCNCC1Oc2ccccc2CC1c1ccccc1
COc1cccc(OC)c1OCCNCC1C(Sc2ccccc2C1=O)c1ccccc1
COc1cccc(OC)c1O[C@@H]1CCC(NCC2COc3ccccc3O2)C1O |r|
COc1ccccc1O[C@@H]1CCC(NCC2COc3ccccc3O2)C1O |r|
O[C@@H]1[C@@H](CC[C@H]1Oc1ccccc1)NC[C@H]1COc2ccccc2O1
O[C@@H]1[C@@H](CC[C@H]1Oc1ccccc1)NC[C@@H]1COc2ccccc2O1
O[C@H]1[C@H](CC[C@@H]1Oc1ccccc1)NC[C@H]1COc2ccccc2O1
O[C@H]1[C@H](CC[C@@H]1Oc1ccccc1)NC[C@@H]1COc2ccccc2O1
O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
CCNc1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2cccc(n2)-c2ccco2)CC1
FC1(CNCc2cccc(n2)-n2cccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
CCNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C
S=c1[nH]ncn1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
CCc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
CN(C)c1cc(C)cc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1-n1cccn1
FC1(CNCc2cccc(n2)-c2cccs2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
CCN(CC)c1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C
FC1(CNCc2cccc(n2)-c2nccs2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Fc1cccnc1CNCC1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)=CC1 |c:30,(23.53,-13.82,;22.19,-13.07,;20.87,-13.84,;19.56,-13.1,;19.55,-11.57,;20.85,-10.79,;22.18,-11.53,;23.5,-10.76,;18.21,-10.83,;18.21,-9.3,;16.9,-11.6,;15.41,-11.88,;15.18,-10.54,;13.93,-9.74,;12.52,-10.56,;11.09,-9.74,;9.67,-10.56,;8.25,-9.74,;8.25,-8.11,;6.83,-7.29,;5.41,-8.11,;5.41,-9.74,;6.83,-10.56,;3.98,-10.56,;2.32,-10.53,;1.8,-12.05,;3.09,-13.05,;4.45,-12.13,;15.31,-9.45,;16.74,-10.12,)|
CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C
FC1(CNCc2cccc(n2)-c2ccco2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
COC1(CNCc2cccc(n2)-n2cccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
FCC1(CNCc2cccc(n2)-n2cccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
OC1(CNCc2cccc(n2)-n2cccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
CNc1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
CN(C)c1ccc(C)c(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2cccc(n2)-n2cccn2)CC1
FC1(CNCc2cccc(n2)-c2cnco2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
CC1(CNCc2cccc(n2)-n2cccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
FC1(CNCc2ccccn2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2cccc(n2)-c2cc[nH]n2)CC1
CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(C)c(Cl)c2)n1
FC1(CNCc2cccc(n2)-c2cc[nH]n2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)nc1
Clc1ccc(cc1Cl)C(=O)N1CCC(CNCc2cccc(n2)-n2cccn2)(CC1)C#N
CN(C)c1cccc(CNCC2(F)CCN(CC2)C(=O)c2cccc(Cl)c2)n1
FC1(CNCc2cccc(n2)N2CCC2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1-c1cc[nH]n1
CNc1cccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)n1
CC(C)c1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
CN(C)c1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ccc1C
CN(C)[C@H]1C[C@@H](C1)c1c[nH]c2ccc(CC3COC(=O)N3)cc12 |wU:3.2,wD:5.7,(12.22,-9.08,;13.25,-7.93,;14.76,-8.24,;12.76,-6.47,;11.38,-5.77,;12.08,-4.41,;13.46,-5.09,;11.59,-2.95,;12.5,-1.69,;11.59,-.45,;10.13,-.94,;8.79,-.17,;7.46,-.94,;7.46,-2.48,;6.12,-3.25,;6.12,-4.79,;4.88,-5.7,;5.36,-7.16,;6.9,-7.17,;7.98,-8.25,;7.37,-5.7,;8.79,-3.25,;10.13,-2.48,)|
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2ccc(cc12)[N+]([O-])=O)N1CCC(CC1)c1cccc2OCCOc12
Cc1ccc2C[C@H]([C@H](O)c2c1)N1CCC(CC1)c1cccc2OCCOc12
O[C@@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cccc2CCOc12
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cc(F)cc2CCCOc12
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cc(Cl)cc2OCCOc12
COc1cc2C[C@H]([C@H](O)c2cc1OC)N1CCC(CC1)c1cccc2OCCOc12
O[C@@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2CCCOc12
OCC1COc2c(O1)cc(Cl)cc2N1CCN(CC1)[C@@H]1Cc2cc(F)ccc2[C@H]1O
O[C@H]1[C@@H](Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
COc1ccc2C[C@H]([C@H](O)c2c1)N1CCC(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2ccccc12)N1CCC(=CC1)c1cccc2OCCOc12 |c:15|
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(=CC1)c1cccc2OCCOc12 |c:16|
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(O)(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2cc(F)c(F)cc12)N1CCN(CC1)c1cccc2OCCOc12
O[C@@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2ccccc12)N1CCC(CC1)c1cccc2OCCOc12
COc1ccc2[C@@H](O)[C@@H](Cc2c1)N1CCN(CC1)c1cccc2OCCOc12
COc1ccc2C[C@H]([C@@H](O)c2c1)N1CCN(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2ccc(F)cc12)N1CCN(CC1)c1cccc2OCCOc12
Cc1ccc2[C@@H](O)[C@@H](Cc2c1)N1CCC(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2CCCOc12
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(=CC1)c1cccc2CCCSc12 |c:16|
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cccc2OCCOc12
O[C@@H]1[C@@H](Cc2ccccc12)N1CCC(=CC1)c1cccc2OCCOc12 |c:15|
O[C@H]1[C@@H](Cc2cc3OCOc3cc12)N1CCC(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(CC1)c1cccc2CCCOc12
COc1ccc2C[C@H]([C@H](O)c2c1)N1CCN(CC1)c1cccc2OCCOc12
O[C@@H]1[C@@H](Cc2cc(F)ccc12)N1CCC(O)(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2ccc(cc12)[N+]([O-])=O)N1CCN(CC1)c1cccc2OCCOc12
O[C@@H]1[C@@H](Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
COc1ccc2[C@H](O)[C@@H](Cc2c1)N1CCN(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2ccc(F)cc12)N1CCC(CC1)c1cccc2OCCOc12
O[C@H]1[C@@H](Cc2cc(F)c(F)cc12)N1CCC(CC1)c1cccc2OCCOc12
CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
CN1CCN(CC1)c1cc2N(CCc2cc1Cl)C(=O)Nc1ccc(-c2ccncc2)c2ccccc12
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@]1(C)O[C@@]2(O)[C@H](Cc5ccccc5)NC(=O)[C@H](CC(C)C)N2C1=O)c34 |c:12|
NCCCC1(CCCN)CCc2cccc(O)c2C1
O=C(C=Cc1ccccc1)N(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)Cc1cccnc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C=Cc1ccccc1
O=C1COc2ccc(OC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1
O=C1COc2ccc(CC3CCN(CCOc4cccc5ncccc45)CC3)cc2N1
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
O=C1COc2ccc(OC3CCN(CCOc4nccc5ccccc45)CC3)cc2N1
O=C1COc2ccc(OC3CCN(CCOc4cccc5ccccc45)CC3)cc2N1
CC1(C)OC2C=CC=CC2=C1OCCN1CCC(CC1)Oc1ccc2OCC(=O)Nc2c1 |c:5,7,10|
O=C1COc2ccc(OCCNCCCOc3cccc4[nH]ccc34)cc2N1
O=C1COc2ccc(OCC3CCN(CCOc4cccc5ncccc45)C3)cc2N1
O=C1COc2ccc(OC3CCN(CCOc4cccc5[nH]ccc45)CC3)cc2N1
O=C1COc2ccc(OC3CCN(CCOc4cccc5cccnc45)CC3)cc2N1
O=C1COc2ccc(OC3CCN(CCOc4cccc5[nH]c(cc45)C#N)CC3)cc2N1
O=C1COc2ccc(OCC3CCCN(CCOc4cccc5ncccc45)C3)cc2N1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
O=C1COc2ccc(OC3CCN(CCOc4ccnc5ccccc45)CC3)cc2N1
O=C1COc2ccc(CN3CCN(CCOc4cccc5ncccc45)CC3)cc2N1
COc1ccccc1N1CCN(CC2=NS(=O)(=O)c3ccc(Cl)cc3N2)CC1 |t:14|
COc1ccccc1N1CCN(CC2Nc3cc(Cl)ccc3S(=O)(=O)N2)CC1
COc1ccccc1N1CCN(CC2=NS(=O)(=O)c3ccc(C)cc3N2)CC1 |t:14|
COc1ccccc1N1CCN(CC2Nc3cc(C)ccc3S(=O)(=O)N2)CC1
COc1ccccc1N1CCN(CC2=NS(=O)(=O)c3ccccc3N2)CC1 |t:14|
COc1ccccc1N1CCN(CC2Nc3ccccc3S(=O)(=O)N2)CC1
Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc5[nH]ccc5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cc(Cl)ccc4Cl)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(CN4OC5=CCC(=O)C=C5C=C4)CC3)cccc2n1 |c:21,24,t:16|
Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(N)c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5ncncc45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5ncccc45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(c4)[N+]([O-])=O)CC3)cccc2n1
COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+]([O-])=O
COc1cc2CCN(C(=O)c3ccc(-c4cccc(C)n4)c4ccccc34)c2cc1N1C[C@H](C)N[C@H](C)C1
COc1cc2CCN(C(=O)Nc3cccc(Cl)c3Cl)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(-c4cccc(C)n4)c4ccccc34)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
COc1cc2CCN(C(=O)c3ccc(-c4cccc(C)n4)c4ccccc34)c2cc1N1CCN(C)CC1
COc1cc2CCN(C(=O)Cc3cccc(c3)[N+]([O-])=O)c2cc1N1CCN(C)CC1
CCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12
COc1cc2CCN(C(=O)Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1
COc1cc2CCN(C(=O)Cc3cccc(c3)[N+]([O-])=O)c2cc1N1C[C@H](C)N(C)[C@H](C)C1
CCCN1[C@@H](C)CN(C[C@H]1C)c1cc2N(CCc2cc1OC)C(=O)c1ccc(-c2cccc(C)n2)c2ccccc12
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1
COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
COc1ccccc1COc1ccccc1OCCNCCOc1c(OC)cccc1OC
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(c1)[N+]([O-])=O
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(cc1)[N+]([O-])=O
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1
COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1[N+]([O-])=O
COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C
CC(C)(CCCN1CCCC(C1)c1cnco1)S(=O)(=O)c1ccccc1
O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1
CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1
CC(C)(CCCN1CCCC(C1)C(F)(F)F)S(=O)(=O)c1ccccc1
CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1
O=S(=O)(c1ccccc1)C1(CCCN2CCC3CCCCC3C2)CCC1
CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1
CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1cccs1
Fc1ccc(cc1)-c1cncc(CNC[C@H]2CCc3ccccc3O2)c1
CC(C)Oc1ccccc1OCCNCc1cccc(c1)C1=CCCC1 |t:23|
C(COc1cccc2OCOc12)NCc1cccc(c1)C1=CCCC1 |t:23|
CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1ccsc1
C(COc1cccc2CC3(CC3)Oc12)NCc1cncc(c1)C1=CCCC1 |t:26|
CC(C)Oc1ccccc1OCCNCc1cccc(c1)C1=CCCCCC1 |t:23|
CC(C)Oc1ccccc1OCCNCc1cccc(c1)C1CC1
CCC1(C)Cc2cccc(OCCNCc3cccc(c3)C3=CCCC3)c2O1 |t:22|
CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1ccco1
C(COc1cccc2OCCOc12)NCc1cccc(c1)C1=CCCC1 |t:24|
CC(C)Oc1ccccc1OCCNCc1cccc(c1)-c1ccccc1
CC(C)Oc1ccccc1OCCNCc1cccc(c1)C1=CCCCC1 |t:23|
CC1(C)COc2c1cccc2OCCNCc1cccc(c1)C1=CCCC1 |t:25|
CC(C)Oc1ccccc1OCCNCc1cccc(c1)C1CCCC1
C(COc1cccc2CC3(CC3)Oc12)NCc1cccc(c1)C1=CCCC1 |t:26|
CC1(C)Oc2cccc(OCCNCc3cccc(c3)C3=CCCC3)c2O1 |t:21|
CC1(C)Cc2cccc(OCCNCc3cccc(c3)C3=CCCC3)c2O1 |t:21|
CC1(C)Cc2cccc(OCCNCc3cncc(c3)C3=CCCC3)c2O1 |t:21|
CNc1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ncccn2)CC1
OCc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
FC(F)c1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
FC(F)c1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nn1
COC(=O)c1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
FCc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
OC(=O)c1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ccc(Cl)cn2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2nccc(n2)-c2ccco2)CC1
CCc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1C
Cc1cnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)cn1
Cc1cnc(nc1)CNCC2(CCN(CC2)C(=O)c3ccc(c(c3)Cl)F)F
FC(F)(F)c1cccc(c1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
CN(C)c1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCc2ncc(Cl)cn2)CC1
OCc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
COc1ccnc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)n1
CNc1nc(CNCC2(F)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)ncc1Cl
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
S=c1[nH]c2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2[nH]1
C(COc1ccc2[nH]cnc2c1)CN1CCN(CC1)c1ccccc1
FC(F)(F)c1cccc(c1)N1CCN(CCCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
COc1ccccc1N1CCN(CCCOc2ccc3[nH]cnc3c2)CC1
COc1ccccc1N1CCN(CCCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCOc2ccc3[nH]cnc3c2)CC1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(cc2n1)C#N
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)ccc(Cl)c2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)c(F)ccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cc(F)c5OCC(=O)Nc5c4)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cc(F)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4F)CC3)cc(Cl)cc2n1
Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)ccc(F)c2n1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCNc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2)CC1
Cn1c2nc3N(CCCN4CCN(CC4)c4cccc(Cl)c4)C(=O)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCN4CCN(CC4)c4ncccn4)C(=O)CCCn3c2c(=O)n(C)c1=O
CCOC(=O)Cn1c(NCCCN2CCN(CC2)c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c(NCCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Cn1c2nc(NCCCN3CCN(CC3)c3ccccc3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O
Cn1c2nc(NCCCN3CCN(CC3)c3cccc(Cl)c3)n(CCc3ccccc3)c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCN4CCN(CC4)c4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
Cn1cnc2n(C)c(=O)n(CCCN3CCN(CC3)C(c3ccccc3)c3ccccc3)c(=O)c12
COc1ccccc1N1CCN(CCCCn2c3nc4n(C)c(=O)n(C)c(=O)c4n3ccc2=O)CC1
Cn1c2nc(NCCCN3CCN(CC3)c3cccc(Cl)c3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O
COc1ccccc1N1CCN(CCCNc2nc3n(C)c(=O)n(C)c(=O)c3n2CCCc2ccccc2)CC1
Cn1c(NCCCN2CCN(CC2)c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccccc1N1CCN(CCCn2c3nc4n(C)c(=O)n(C)c(=O)c4n3ccc2=O)CC1
COc1ccccc1N1CCN(CCCN2CCCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Cn1c2nc3N(CCCN4CCN(CC4)c4cccc(Cl)c4)CCCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCN4CCN(CC4)c4ncccn4)C(=O)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(=O)ccn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCCN4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCN4CCN(CC4)c4ccccc4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccccc4)c(=O)ccn3c2c(=O)n(C)c1=O
CC(c1ccccc1)n1c(NCCCN2CCN(CC2)c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccccc1N1CCN(CCCN2c3nc4n(C)c(=O)n(C)c(=O)c4n3CCCC2=O)CC1
COc1ccccc1N1CCN(CCCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Cn1c2nc3N(CCCN4CCN(CC4)c4ccccc4)CCCCn3c2c(=O)n(C)c1=O
Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
CCCCn1c(NCCCN2CCN(CC2)c2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
COc1ccccc1N1CCN(CCCN2c3nc4n(C)c(=O)n(C)c(=O)c4n3CCC2=O)CC1
Cn1c2nc3N(CCCN4CCN(CC4)c4ncccn4)CCCn3c2c(=O)n(C)c1=O
Cn1c2nc3N(CCCN4CCN(CC4)c4cccc(Cl)c4)C(=O)CCn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCCN4CCN(CC4)c4cccc(Cl)c4)c(=O)ccn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)c(=O)ccn3c2c(=O)n(C)c1=O
CCCN(CCC)[C@H]1CCc2cccc(C#C)c2C1
CCCN(CCC)C1CCc2cccc(-c3ccccc3)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(C(=O)c3ccccc3)c2C1
CCCN(CCC)[C@H]1CCc2cccc(-c3ccccc3)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
CCCN(CCC)[C@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(C(=O)OC)c2C1
CCCN(CCC)[C@H]1CCc2cccc(C(C)=O)c2C1
CCCN(CCC)[C@H]1CCc2cccc(OC)c2C1
CCCN(CCC)[C@H]1CCc2cccc(C)c2C1
CCCN(CCC)[C@H]1CCc2cccc(CO)c2C1
CCCN(CCC)[C@@H]1CCc2ccccc2C1
CCCN(CCC)[C@@H]1CCc2cccc(C#N)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(C)c2C1
CCCN(CCC)[C@H]1CCc2cccc(C(=O)c3ccccc3)c2C1
CCCN(CCC)[C@H]1CCc2ccccc2C1
CCCN(CCC)[C@H]1CCc2cccc(C(=O)OC)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(C#C)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(OC)c2C1
CCCN(CCC)C1CCc2cccc(C(=O)c3ccccc3)c2C1
CCCN(CCC)[C@H]1CCc2cccc(C#N)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(CO)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(-c3ccccc3)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(C(C)=O)c2C1
CCCN(C(C)C)[C@H]1CCc2cccc(O)c2[C@H]1C
CCCN(CCC)[C@@H]1CCc2cccc(-c3ccco3)c2[C@@H]1C
CCCN(C(C)C)[C@@H]1CCc2cccc(O)c2[C@@H]1C
CCCN(CCC)[C@@H]1CCc2cccc(C(=O)NC(C)C)c2[C@@H]1C
CCCN(CCC)[C@@H]1CCc2cccc(C(=O)OC)c2[C@@H]1C
CCCN(CCC)[C@H]1CCc2cccc(OC)c2[C@H]1C
CCCN(C(C)C)[C@H]1CCc2cccc(OC)c2[C@H]1C
CCCN(C(C)C)[C@@H]1CCc2cccc(OC)c2[C@@H]1C
CCCN(CCC)[C@@H]1CCc2cccc(C(=O)c3ccccc3)c2[C@@H]1C
CCCN(CCC)[C@@H]1CCc2ccccc2[C@@H]1C
CCCN(CCC)[C@H]1CCc2cccc(C(=O)NC(C)C)c2[C@H]1C
CCCN(CCC)[C@@H]1CCc2cccc(C(C)=O)c2[C@@H]1C
CCCN(CCC)[C@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2[C@H]1C
CCCN(CCC)[C@@H]1CCc2cccc(OC)c2[C@@H]1C
CCCN(CCC)[C@H]1CCc2cccc(C(=O)c3ccccc3)c2[C@H]1C
CCCN(CCC)[C@@H]1CCc2cccc(O)c2[C@@H]1C
CCCN(CCC)[C@H]1CCc2cccc(O)c2[C@H]1C
CCCN(CCC)[C@@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2[C@@H]1C
CCCN(CCC)[C@H]1CCc2ccccc2[C@H]1C
CCCN(CCC)[C@H]1CCc2cccc(C(=O)OC)c2[C@H]1C
CCCN(CCC)[C@H]1CCc2cccc(C(C)=O)c2[C@H]1C
CCCN(CCC)[C@H]1CCc2cccc(-c3ccco3)c2[C@H]1C
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
C(Cc1ccc2[nH]cnc2c1)N1CCN(CC1)c1cccc2ccccc12
C(Cc1ccc2nn[nH]c2c1)N1CCN(CC1)c1cccc2ccccc12
COc1ccccc1N1CCN(CCc2ccc3[nH]nnc3c2)CC1
Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C
[O-][N+](=O)c1ccc(CCN2CCN(CC2)c2ccccc2)cc1[N+]([O-])=O
FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
C(Cc1ccc2[nH]c(nc2c1)-c1ccccc1)N1CCN(CC1)c1ccccc1
COc1cccc2C(CCCCN3CCN(CC3)c3ccccc3OC)CCCc12
COc1ccc2CCC=C(CCCN3CCN(CC3)c3ccccc3OC)c2c1 |t:8|
COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)CCCc12
COc1ccc2CCC=C(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c2c1 |t:8|
COc1ccc2CCCC(CCCN3CCN(CC3)c3ccccn3)c2c1
COc1cccc2C(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)=CCCc12 |c:28|
COc1ccc2CCCC(CCCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1ccc2CCC=C(CCCCN3CCN(CC3)c3ccccc3OC)c2c1 |t:8|
COc1ccc2CCC=C(CCCN3CCN(CC3)c3ccccc3)c2c1 |t:8|
COc1ccc2CCCC(SCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc12 |c:24|
COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
COc1ccc2CCCC(CCCN3CCN(CC3)c3ccccc3)c2c1
COc1ccccc1N1CCN(CC\C=C2/CCCc3ccccc23)CC1
COc1cccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc12
COc1ccccc1N1CCN(CCCC2CCCc3ccccc23)CC1
COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)=CCCc12 |c:24|
COc1ccc2CCCC(NCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1ccc2CCCC(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c2c1
COc1cccc2C(CCCc12)SCCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)CCCc12
COc1ccc2CCCC(CCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1cccc2C(CCCN3CCN(CC3)c3ccccc3OC)=CCCc12 |c:26|
COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1OC
COc1ccc2CCC=C(CCCN3CCN(CC3)c3ccccn3)c2c1 |t:8|
COc1ccccc1N1CCN(CCCC2CCCc3ccsc23)CC1
COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12
COc1cccc2C(CCCCN3CCN(CC3)c3ccccc3OC)=CCCc12 |c:27|
CCC(C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
CCCCCC(C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:25|
CCC[C@@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
CCCC(C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
CCCC[C@@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
CCC(CC)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
CCCCC[C@@H](C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:25|
CCCCC(C)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
COc1ccccc1N1CCN(CCNC(=O)C2CC3CCC2C3)CC1 |TLB:15:17:23:21.20|
COc1ccccc1N1CCN(CCCCNC(=O)c2ccsc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cccs2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2cccnc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)C2CCCC2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2ccc[nH]2)CC1
COc1ccccc1N1CCN(CCCNC(=O)c2ccc[nH]2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2cccn2C)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccco2)CC1
COc1ccccc1N1CCN(CCCNC(=O)C2CC3CCCC3C2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)Cc2ccsc2)CC1
COc1ccccc1N1CCN(CCNC(=O)C2CC3CCCC3C2)CC1
COc1ccsc1C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCNC(=O)Cc2ccsc2)CC1
COc1ccccc1N1CCN(CCNC(=O)C2CCCC2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cccn2C)CC1
COc1ccccc1N1CCN(CCNC(=O)c2sccc2C)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(C)s2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2ccsc2)CC1
COc1ccccc1N1CCN(CCNC(=O)C2CC3CC2C=C3)CC1 |c:24,THB:15:17:22.23:20|
COc1ccccc1N1CCN(CCCCNC(=O)c2sccc2Cl)CC1
COc1ccccc1N1CCN(CCCCNC(=O)C2CC3CC2C=C3)CC1 |c:26,THB:17:19:24.25:22|
COc1ccccc1N1CCN(CCCCNC(=O)C2CC3CCCC3C2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)s2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc[nH]2)CC1
COc1ccccc1N1CCN(CCCNC(=O)c2cccnc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cccnc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)C2CC3CCC2C3)CC1 |TLB:17:19:25:23.22|
COc1ccccc1N1CCN(CCCCNC(=O)c2sccc2C)CC1
CCCN1CC[C@H]2Cc3c(O)cccc3C[C@@H]12
CCCN1CC[C@H]2Cc3c(C[C@@H]12)cccc3OC
COc1cccc2C[C@H]3NCC[C@@H]3Cc12
COc1cccc2C[C@@H]3[C@@H](CCN3CC=C)Cc12
COc1cccc2C[C@@H]3NCC[C@@H]3Cc12
CCCN1CC[C@H]2[C@H]1CCc1ccccc21
COc1cccc2[C@@H]3CCN(CC4CC4)[C@@H]3CCc12
COc1cccc2C[C@H]3[C@H](CCN3Cc3ccccc3)Cc12
COc1cccc2[C@@H]3CCN(CC=C)[C@H]3CCc12
CCCN1CC[C@@H]2Cc3c(O)cccc3C[C@H]12
Oc1cccc2CC[C@@H]3[C@H](CCN3CC=C)c12
CCCN1CC[C@@H]2Cc3c(C[C@H]12)cccc3OC
COc1cccc2CC[C@H]3[C@@H](CCN3CC=C)c12
CCCN1[C@@H](C)C[C@@H]2Cc3cccc(OC)c3C[C@H]12
CCCN1CC[C@@H]2Cc3c(C[C@@H]12)cccc3OC
CCCN1[C@H](C)C[C@@H]2Cc3cccc(OC)c3C[C@H]12
CCCN1CC[C@H]2[C@H]1CCc1c(OC)cccc21
CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21
COc1cccc2CC[C@H]3[C@@H](CCN3CCc3ccccc3)c12
CCCN1[C@H](C)C[C@@H]2[C@H]1CCc1cccc(O)c21
COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
CCCN1CC[C@@H]2[C@@H]1CCc1cccc(OC)c21
CCCN1[C@@H](C)C[C@@H]2[C@H]1CCc1cccc(O)c21
CCCN1CC[C@@H]2[C@@H]1CCc1cccc(O)c21
C=CCN1CC[C@H]2[C@H]1CCc1ccccc21
Oc1cccc2C[C@@H]3[C@@H](CCN3CC=C)Cc12
COc1cccc2[C@H]3CCN(CC4CC4)[C@@H]3CCc12
C=CCN1CC[C@@H]2[C@H]1CCc1ccccc21
Oc1cccc2C[C@@H]3[C@H](CCN3CC3CC3)Cc12
COc1cccc2CC[C@@H]3[C@@H](CCN3CCc3ccccc3)c12
Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12
COc1cccc2CC[C@@H]3[C@H](CCN3CC=C)c12
COc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12
CCCN1CC[C@@H]2[C@H]1CCc1cccc(O)c21
CCCN1CC[C@@H]2[C@H]1CCc1c(OC)cccc21
COc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12
COc1cccc2C[C@H]3CCN(CC=C)[C@H]3Cc12
COc1cccc2C[C@H]3[C@H](CCN3CC=C)Cc12
COc1cccc2C[C@H]3[C@H](CCN3CC3CC3)Cc12
COc1cccc2C[C@@H]3[C@H](CCN3CC3CC3)Cc12
Oc1cccc2CC[C@@H]3[C@@H](CN3CC=C)c12
CCCN1CC[C@H]2[C@H]1CCc1c(O)cccc21
CCCN1CC[C@@H]2Cc3c(O)cccc3C[C@@H]12
COc1cccc2C[C@H]3CCN(CC=C)[C@@H]3Cc12
Oc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12
CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Oc1cccc2[C@@H]3CCN(CC=C)[C@@H]3CCc12
Oc1cccc2[C@@H]3CCN(CC=C)[C@H]3CCc12
Oc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
CCCN1CC[C@@H]2[C@H]1CCc1ccccc21
COc1cccc2CC[C@@H]3[C@@H](CN3CC=C)c12
COc1cccc2[C@H]3CCN(CC=C)[C@@H]3CCc12
CCCN1CC[C@@H]2[C@H]1CCc1c(O)cccc21
COc1cccc2C[C@@H]3[C@H](CCN3Cc3ccccc3)Cc12
CCCN(CCC)[C@H]1CN2C(=O)NCc3cccc(C1)c23
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccc2ccccc2n1
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)C1
Fc1cc(N2CCNCC2)c2occc2c1
C1CN(CCN1)c1cccc2ccoc12
Brc1cc(N2CCNCC2)c2occc2c1
Cc1coc2c(cccc12)N1CCNCC1
COc1ccc(N2CCNCC2)c2occc12
Fc1ccc2ccoc2c1N1CCNCC1
COc1cccc(c1)N1CCNCC1
N#Cc1ccc2ccoc2c1N1CCNCC1
COc1ccc(cc1)N1CCNCC1
[O-][N+](=O)c1ccc2ccoc2c1N1CCNCC1
Clc1ccc2OCCOc2c1N1CCNCC1
CC1=COc2c(O1)cccc2N1CCNCC1 |t:1|
Cc1cc2cccc(N3CCNCC3)c2o1
Cc1ccc(N2CCNCC2)c2occc12
COc1ccc2OCCOc2c1N1CCNCC1
C1CCc2c(C1)cccc2N1CCNCC1
C1CN(CCN1)c1cccc2OC=COc12 |c:13|
Brc1coc2c(cccc12)N1CCNCC1
Brc1ccc(N2CCNCC2)c2occc12
COc1cccc(N2CCNCC2)c1OC
Cc1cc(N2CCNCC2)c2occc2c1
C1CN(CCN1)c1cccc2ccsc12
Fc1ccc(N2CCNCC2)c2occc12
C1CN(CCN1)c1cccc2cc[nH]c12
COc1cc(N2CCNCC2)c2occc2c1
CCCN(CCC)C1CCc2ccc3[nH]cc(CC(F)(F)F)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1
CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(Cl)c3c2C1
CCCN(CCC)C1CCc2ccc3NC(=O)Cc3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(CN(C)C)c3c2C1
CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C(=O)CC)c3c2C1
CCCN(CCC)C1CCc2cc(F)c3n(C)ccc3c2C1
CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(=O)N(CC)CC)c3c2C1
CCCNC1CCc2cc(F)ccc2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C#N)c3c2C1
CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1
CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1
CCCN(CCC)C1CCc2ccc3n(C)cc(C=O)c3c2C1
CCCN(CCC)C1CCc2cc(F)c3n(C)cc(C=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(SC)c3c2C1
CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
CCCN(CCC)[C@H]1CCc2ccc3[nH]ccc3c2C1
CCCN(CCC)C1CCc2c(C1)ccc(F)c2N
CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CCC)C1CCc2cc(F)c3[nH]cc(CCC)c3c2C1
CCCN(CCC)[C@@H]1CCc2ccc3[nH]ccc3c2C1
CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]ccc3c2C1
CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)C(N)=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1
CCCN(CCC)C1CCc2ccc3[nH]cc(c3c2C1)S(C)(=O)=O
CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
CN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)NCC=C)c21
CN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
CCN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(C)=O)c21
CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)C(C)C)c21
COCCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
Brc1cccc2CC[C@@H]3[C@@H](CCN3CCC=C)c12
CC(C)CN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)CCC)c21
CCCN(CCC)C(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CCC)c12
NC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
NC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CCC=C)c12
CCCCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
NC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CC3CC3)c12
Brc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
COCCN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
CN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6@@H]-2-[#6@H]-1-[#6]-[#6]-c1cccc(Br)c-21
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6@@H]-2-[#6@H]-1-[#6]-[#6]-c1cccc(-[#6](-[#7])=O)c-21
NC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CCCF)c12
CCCNC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CCC)c12
Brc1cccc2CC[C@@H]3[C@@H](CCN3CC3CC3)c12
ClCCCN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
CCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
NC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CCCCl)c12
CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)NCc3ccccc3)c21
NC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CC#C)c12
CCCCN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
FCCCN1CC[C@@H]2[C@H]1CCc1cccc(Br)c21
CC(C)Oc1ccccc1N1CCN(Cc2ccccc2CN2CCCCC2=O)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccccc2C(=O)N2CCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)cc2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2CCCCC2)CC1
Fc1ccc2c(csc2c1)N1CCN(CCNC(=O)c2noc3ccccc23)CC1
CN(CCCCN1CCN(CC1)c1csc2cc(F)ccc12)C(=O)c1nsc2ccccc12
CN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)c1noc2ccccc12
CC(C)N(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)c1noc2ccccc12
CN(CCN1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1nsc2ccccc12
CN(CCN1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1noc2ccccc12
Fc1ccc(cc1)C(=O)C1CCN(CCNC(=O)c2nsc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCN(C)C(=O)c2nsc3ccccc23)CC1
CN(CCCN1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1nsc2ccccc12
COc1ccccc1N1CCN(CCCNC(=O)c2nsc3ccccc23)CC1
Clc1ccc2c(noc2c1)C1CCN(CCCNC(=O)c2nsc3ccccc23)CC1
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1nsc2ccccc12
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1nsc2ccccc12
O=C(NCCN1CCN(Cc2ccccc2)CC1)c1nsc2ccccc12
CN(CCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)c1nsc2ccccc12
Clc1cccc(c1)N1CCN(CCNC(=O)c2nsc3ccccc23)CC1
CN(CCCCN1CCN(CC1)c1nsc2ccccc12)C(=O)c1nsc2ccccc12
CN(CCCCN1CCN(CC1)c1csc2cc(F)ccc12)C(=O)c1noc2ccccc12
CN1CCN(CCNC(=O)c2nsc3ccccc23)CC1
COc1ccccc1N1CCN(CCNC(=O)c2nsc3ccccc23)CC1
O=C(NCCN1CCN(CC1)c1nsc2ccccc12)c1nsc2ccccc12
Clc1ccc2c(noc2c1)C1CCN(CCNC(=O)c2nsc3ccccc23)CC1
COc1ccccc1N1CCN(CCCN(C)C(=O)c2nsc3ccccc23)CC1
CC(C)N(CCCN1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1noc2ccccc12
COc1ccccc1N1CCN(CCNC(=O)c2noc3ccccc23)CC1
CN(CCCCN1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1nsc2ccccc12
COc1ccccc1N1CCN(CCCCNC(=O)c2nsc3ccccc23)CC1
CN(CCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(=O)c1nsc2ccccc12
CN(CCCN1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1noc2ccccc12
O=C1C2CCCCC2C=NN1CCCCN1CCN(CC1)c1nsc2ccccc12 |c:9|
O=c1n(CCCCN2CCN(CC2)c2nsc3ccccc23)nnc2ccccc12
O=c1n(CCCCN2CCN(CC2)c2nsc3ccccc23)cnc2ccccc12
O=c1n(CCCCN2CCN(CC2)c2nsc3ccccc23)sc2ccccc12
O=c1n(CCCCN2CCN(CC2)c2nsc3ccccc23)[nH]c2ccccc12
O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)S(=O)(=O)c2ccccc12
Cc1nn(CCCCN2CCN(CC2)c2nsc3ccccc23)c(=O)c2ccccc12
CCOC(=O)n1n(CCCCN2CCN(CC2)c2nsc3ccccc23)c(=O)c2ccccc12
O=C1Cc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CCCc2ccccc12
O=c1[nH]n(CCCCN2CCN(CC2)c2nsc3ccccc23)c(=O)c2ccccc12
O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CCc2ccccc12
O=c1n(CCCCN2CCN(CC2)c2nsc3ccccc23)ncc2ccccc12
CCCN(CCC)C1CCc2cc3cc[nH]c3cc2C1
CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
CCCN(CCC)C1CCc2ccc3c(CC(F)(F)F)c[nH]c3c2C1
CCCN(CCC)C1CCc2ccc3cc[nH]c3c2C1
CCCN(CCC)C1CCc2ccc3CCNc3c2C1
CCCN(CCC)C1CCc2cc3c(C=O)c[nH]c3cc2C1
CCCN(CCC)C1CCc2ccc3c(C=O)c[nH]c3c2C1
CCCN(CCC)C1CCc2ccc3CCN(C=O)c3c2C1
COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1
COc1ccc2c(c1)oc1ccc(CN3CCN(C)CC3)cc1c2=O
COc1ccc2c(c1)oc1c(CN3CCN(CC3)c3ccccc3OC)cccc1c2=O
OCCN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
COc1ccc2c(c1)oc1ccc(CN3CCN(Cc4ccccc4)CC3)cc1c2=O
COc1ccc2c(c1)oc1ccc(CN3CCN(CC3)c3ccccc3OC)cc1c2=O
CN1CCN(Cc2cccc3c2oc2cc(Cl)ccc2c3=O)CC1
Clc1ccc(cc1)-n1cc(COCCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(COCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1
Clc1ccc(cc1)-n1cc(CCCCN2CCN(CC2)c2ccccc2)cn1
CCCN(C\C=C\I)C1CCc2ccc(O)cc2C1
CCCN(C\C=C\I)C1CCc2cc(O)ccc2C1
CCCN(C\C=C\I)C1COc2c(O)cccc2C1
CCCN(C\C=C\I)C1COc2ccc(O)cc2C1
CCCN(C\C=C\I)C1CCc2c(O)cccc2C1
COc1cc(c(OC)cc1CCN)C(F)(F)F
COc1cc(c(OC)cc1CC(C)N)C(F)(F)F
COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1ccc2CCOc2c1OCCNC[C@@H]1COc2ccccc2O1
COc1ccc2CCNc2c1OCCNC[C@H]1COc2ccccc2O1
COc1ccc2cc[nH]c2c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1ccc2ccoc2c1OCCNC[C@H]1COc2ccccc2O1
COc1ccc2CCOc2c1OCCNC[C@H]1COc2ccccc2O1
COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1ccc2cc[nH]c2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
COc1ccc2CCNc2c1OCCNC[C@@H]1COc2ccccc2O1
COc1ccc2ccoc2c1OCCNC[C@@H]1COc2ccccc2O1
C[C@@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
C(Oc1ccccc1CC1CC1)C1=NCCN1 |t:14|
Brc1ccccc1OCC1=NCCN1 |t:10|
C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
C=CCc1ccccc1OCC1=NCCN1 |t:12|
CCCc1ccccc1OC(C)C1=NCCN1 |t:13|
CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|
C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14|
C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
CC(Oc1ccccc1Br)C1=NCCN1 |t:11|
CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
CCCc1ccccc1OCC1=NCCN1 |t:12|
C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|
CC(Oc1ccccc1OC1CC1)C1=NCCN1 |t:15|
CC(Oc1ccccc1C1CC1)C1=NCCN1 |t:14|
[O-][N+](=O)c1cccnc1Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
CN1CCC[C@@H]1Cc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
CN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
CN1CCC(C1)c1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
COc1ccccc1N1CCN(CCCn2nnc3ccccc23)CC1
COc1ccccc1N1CCN(CCn2nnc3ccccc23)CC1
CCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCn2nnc3ccccc23)CC1
COc1ccccc1N1CCN(CCn2nc3ccccc3n2)CC1
COc1ccccc1N1CCN(CCCCn2nc3ccccc3n2)CC1
CCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCn2nc3ccccc3n2)CC1
CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
COc1cccc2CC[C@H]3C(CCN3CC=C)c12
COc1cccc2CC[C@@H]3C(CCN3CC=C)c12
CCCN1CCC2[C@@H]1CCc1cccc(O)c21
Oc1cccc2C3CCN(CC=C)[C@@H]3CCc12
CCCN1[C@H](C)CC2[C@H]1CCc1cccc(OC)c21
CCCN1CCC2[C@@H]1CCc1cccc(OC)c21
COc1cccc2CC[C@@H]3C(CCN3CCc3ccccc3)c12
CCCN1CCC2C1CCc1cccc(O)c21
COc1cccc2C3CCN(CC=C)[C@H]3CCc12
CCCN1CCC2[C@H]1CCc1cccc(OC)c21
COc1cccc2CC[C@H]3C(CCN3CCc3ccccc3)c12
CCCN1CCC2C1CCc1cccc(OC)c21
CCCN1CCC2[C@H]1CCc1cccc(O)c21
Oc1cccc2C3CCN(CC=C)[C@H]3CCc12
COc1cccc2C3CCN(CC=C)[C@@H]3CCc12
CCCN1[C@@H](C)CC2[C@H]1CCc1cccc(OC)c21
COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1
Fc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(OC)cc45)CC3)c2c1
Brc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1
COc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)c2c1
C(CN1CCN(CCCc2c[nH]c3ccccc23)CC1)Cc1c[nH]c2ccccc12
Fc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)c2c1
Brc1ccc2[nH]cc(CCCN3CCN(CCCc4c[nH]c5ccccc45)CC3)c2c1
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(F)nc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccncc2)CC1
Fc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2cccnc2-c2ccncc2)cn1
COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccc(F)cc2)cc1
COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2cccc(c2)-c2ccccc2OC)cc1
COc1ccccc1-c1cccc(c1)N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
Cc1ccccc1-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2cccnc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccn2)CC1
Fc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cc1
COc1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccccc2C)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccc(F)nc2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Fc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ncccc2-c2ccncc2)cn1
COc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2cccnc2-c2ccncc2)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2cccnc2)CC1
C(N1CCN(CC1)c1ccccc1)c1cn(-c2cccnc2)c2ccccc12
Oc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1
CCc1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
Oc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c3ccccc23)CC1
COc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c3ccccc23)CC1
N#Cc1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
CC(C)c1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C)CC1
CN(C)CCc1cn(-c2cccc3ccccc23)c2ccccc12
CN(C)CCc1cn(-c2cccc(C)c2C)c2ccccc12
CN(C)CCc1cn(-c2ccccc2)c2ccccc12
Cc1ccccc1-n1cc(CN2CCC(=CC2)c2ccccc2)c2ccccc12
C(N1CCC(=CC1)c1ccccc1)c1cn(-c2ccccc2)c2ccccc12
C(N1CCN(CC1)c1ccccc1)c1cn(-c2ccccn2)c2ccccc12
COc1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
C(N1CCN(CC1)c1ccccc1)c1cn(-c2ccc3ccccc3c2)c2ccccc12
C(N1CCN(CC1)c1ccccc1)c1cn(-c2cccc3ccccc23)c2ccccc12
Cc1cccc(c1C)-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
COc1ccccc1N1CCN(Cc2cn(-c3ccccc3C(C)C)c3ccccc23)CC1
Cc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
Cc1cccc(c1)-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
CN(C)CCc1cn(-c2ccccc2C)c2ccccc12
COc1ccccc1N1CCN(Cc2cn(-c3ccccn3)c3ccccc23)CC1
FC(F)(F)c1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
COc1ccccc1N1CCN(Cc2cn(-c3cccc(C)c3C)c3ccccc23)CC1
C(N1CCN(CC1)c1ccccc1)c1cn(-c2ccc(cc2)-c2ccccc2)c2ccccc12
Cc1ccccc1-n1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
C(N1CCN(CC1)c1ccccc1)c1cn(-c2ccccc2)c2ccccc12
COc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1
CN1CCN(Cc2cn(-c3ccccc3C)c3ccccc23)CC1
COc1ccccc1N1CCN(Cc2cn(-c3ccccc3C)c3ccccc23)CC1
COc1ccc2C(CCCN3CCN(CC3)c3ccccn3)=CCCc2c1 |c:23|
COc1ccc2C(CCCN3CCN(CC3)c3cc(OC)ccc3OC)=CCCc2c1 |c:27|
COc1ccccc1N1CCN(CCCC2=CCCc3ccccc23)CC1 |t:16|
COc1ccc2C(CCCN3CCN(CC3)c3cccc(Cl)c3)=CCCc2c1 |c:24|
COc1ccc2C(CCCN3CCN(CC3)c3ccccc3)=CCCc2c1 |c:23|
COc1ccc2C(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)=CCCc2c1 |c:27|
COc1ccccc1N1CCN(CCCC2=CCCc3cccc(OC)c23)CC1 |t:16|
COc1cccc2CCC=C(CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)c12 |t:9|
COc1cccc2CCC=C(CCCN3CCN(CC3)c3cccc(Cl)c3)c12 |t:9|
COc1ccc2C(CCCN3CCNCC3)=CCCc2c1 |c:16|
COc1cccc2CCC=C(CCCN3CCN(CC3)c3ccccn3)c12 |t:9|
COc1cccc2CCC=C(CCCN3CCN(CC3)c3ccccc3)c12 |t:9|
COc1ccc2C(CCCN3CCN(CC3)c3ccccc3OC)=CCCc2c1 |c:25|
CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1
CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1
CN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1
CN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1
CN(C)C1CCc2ccc3[nH]ccc3c2C1
CCCN1CCC2[C@@H]1CCc1cccc(C(N)=O)c21
CCCN1CCC2C1CCc1cccc(C(N)=O)c21
O=C1NCN(c2ccccc2)C11CCN(CCCCOc2ccccc2)CC1
Fc1ccc(OCCCN2CCC(CC2)Nc2ccccc2)cc1
CN(C1CCN(CCCOc2ccc(F)cc2)CC1)c1ccccc1
c1ccc(cc1)N2CNC(=O)C23CCNCC3
O=C1NCN(c2ccccc2)C11CCN(CCc2ccccc2)CC1
Fc1ccc(OCCCN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
C(CCc1ccccc1)CN1CCN(CC1)c1ccccc1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2ccccc2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)Nc1ccccc1
[O-][N+](=O)c1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCCCC1
Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
O=C1NCN(c2ccccc2)C11CCN(CCCOc2ccccc2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
O=C1NCN(c2ccccc2)C11CCN(CCCc2ccccc2)CC1
Fc1ccc(OCCCN2CCC(CC2)NC(=O)c2ccccc2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=O)c1ccc(F)cc1
Fc1ccc(CCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
NCCCC(=O)c1ccc(F)cc1
COc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
CCCCCCCCCCN1CCN(CC1)c1cccc2OCCOc12
CC(C)CN1CCN(CC1)c1cccc2ccoc12
CCN1CCN(CC1)c1cccc2ccoc12
CCCN[C@@H]1CCc2c(OC)cccc2[C@H]1CC=C
CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1CC=C
COc1cccc2CC[C@@H](NCC=C)[C@@H](CO)c12
CCCN[C@@H]1CCc2ccccc2[C@H]1CC=C
COc1cccc2CC[C@@H](NCC=C)[C@H](CC=C)c12
COc1cccc2CC[C@@H](NCC3CC3)[C@H](CC=C)c12
CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CO
CCCN(CCC)[C@@H]1CCc2cccc(OC)c2[C@@H]1CC=C
CCCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC=C
COc1cccc2CC[C@@H](NCC3CC3)[C@@H](CC=C)c12
COc1cccc2C[C@H](CC=C)[C@H](Cc12)NCC=C
CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CCC
COc1cccc2CC[C@@H](NCC=C)[C@@H](CC=C)c12
CCCN[C@@H]1CCc2ccccc2[C@@H]1CC=C
Oc1cccc2CC[C@@H](NCC=C)[C@@H](CC=C)c12
CCCN[C@@H]1[C@H](CCC)Cc2cccc(OC)c2[C@@H]1CCC
COc1cccc2CC[C@@H](NCC3CC3)[C@@H](CC3CC3)c12
CCCN(CC=C)[C@@H]1CCc2cccc(OC)c2C1=C
CCCN(C)[C@@H]1CCc2cccc(OC)c2[C@@H]1CO
CCCN[C@@H]1CCc2cccc(OC)c2[C@H]1CC1CC1
CCCN[C@@H]1[C@H](CCC)Cc2cccc(O)c2[C@@H]1CCC
CCCN[C@@H]1CCc2cccc(O)c2[C@@H]1CC=C
CCCN[C@@H]1CCc2cccc(O)c2[C@@H]1CCC
CCCN[C@H]1Cc2c(C[C@@H]1CC=C)cccc2OC
COC(=O)[C@@H]1[C@@H](CCc2cccc(OC)c12)NCC=C
CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CC1CC1
COc1cccc2CC[C@@H](NCC=C)[C@H](CC3CC3)c12
COc1cccc2CC[C@@H](NCC=C)[C@H](CO)c12
COC(=O)[C@H]1[C@@H](CCc2cccc(OC)c12)NCC=C
COc1cccc2C[C@@H](CC=C)[C@H](Cc12)NCC=C
COc1cccc2CC[C@@H](NCC3CC3)[C@H](CC3CC3)c12
CCCN[C@H]1Cc2c(C[C@H]1CC=C)cccc2OC
C=CCN[C@@H]1CCc2ccccc2[C@@H]1CC=C
CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CC=C
C=CCN[C@@H]1CCc2ccccc2[C@H]1CC=C
COc1cccc2CC[C@@H](NCC=C)[C@@H](CC3CC3)c12
COc1ccccc1N1CCN(C[C@H](C(=O)NC(C)(C)C)c2ccccc2)CC1
COc1ccccc1N1CCN(CC(C(=O)NC(C)(C)C)c2ccccc2)CC1
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
CCCN(c1ccncc1)n1ccc2ccccc12
O=C1N(CC#CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=C1N(CC2CC2CN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=C1N(CCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=C1N(CCOCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
O=C1N(C\C=C/CN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=C1N(C\C=C/CN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
O=C1N(CCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
O=C1N(Cc2ccccc12)C1CCC(CC1)N1CCN(CC1)c1nsc2ccccc12 |(5.61,-11.3,;4.82,-12.63,;5.59,-14.05,;4.24,-15.07,;2.92,-14.27,;1.45,-14.71,;.31,-13.66,;.68,-12.16,;2.14,-11.71,;3.27,-12.75,;7.09,-14.4,;7.25,-15.93,;9.06,-16.06,;9.97,-16.91,;9.8,-15.39,;8.07,-15.29,;11.46,-17.3,;11.44,-15.77,;12.79,-15,;14.12,-15.77,;14.11,-17.31,;12.79,-18.08,;15.46,-15,;15.63,-13.48,;17.12,-13.15,;17.89,-14.5,;19.39,-14.81,;19.87,-16.27,;18.85,-17.42,;17.33,-17.1,;16.87,-15.63,)|
O=C1N(CCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=C1N(CCOCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=C1N(CCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=C1N(CCCCCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
O=C1N(C\C=C\CN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
O=C1N(CC#CCN2CCN(CC2)c2nsc3ccccc23)Cc2ccccc12
O=C1N(C\C=C\CN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
CCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
CCCCCCCCCCc1ccc2[nH]cc(CCN)c2c1
NCCc1c[nH]c2ccc(OCCCCC3CCCCC3)cc12
CCCCCOc1ccc2[nH]cc(CCN)c2c1
CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
CC(C)(C)CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
CC(C)(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
CCCCCCCCCOc1ccc2[nH]cc(CCNCCCC)c2c1
CCc1ccc2[nH]cc(CCN)c2c1
CC(=O)c1ccc2[nH]cc(CCN)c2c1
CCCCCCCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1
CCCCCCCCCOc1ccc2[nH]cc(CCN(C)C)c2c1
CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
CCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
CCCOc1ccc2[nH]cc(CCN)c2c1
CCc1ccc2[nH]cc(CCN(C)C)c2c1
CCCCCCCOc1ccc2[nH]cc(CCN)c2c1
CC(C)CCCCCCOc1ccc2[nH]cc(CCN)c2c1
COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|
COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1
COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1
COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1
O=C1N(CCN2CCc3ccccc3C2)C(=O)c2ccccc12
O=C1N(CCCCN2CCc3ccccc3C2)C(=O)c2ccccc12
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2C1
c1ccc2c(c1)CCNC2
COc1ccccc1N1CCN(CCCCN2C(=O)CCC2=O)CC1
O=C1CCC(=O)N1CCCCN1CCc2ccccc2C1
O=C1CC2(CCCC2)CC(=O)N1CCN1CCc2ccccc2C1
COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
COc1cc2CCOC(CCN3CCN(CC3)c3ccc(F)cc3)c2cc1OC
COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
CC(N)Cc1c2CCOc2c(Br)c2CCOc12
CC(N)Cc1c2CCOc2cc2CCOc12
NCCc1c2CCOc2cc2CCOc12
C(CN1CCC(=CC1)c1ccccc1)C#Cc1ccncc1 |c:5|
Nc1cccc(c1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
Nc1ccc(cn1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
Nc1ccc(nc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
O=C1N(CCCCCCN2CCN(CC2)c2ccccn2)S(=O)(=O)c2ccccc12
COc1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
O=C1N(CCCCCCN2CCN(CC2)c2cccc3cccnc23)S(=O)(=O)c2ccccc12
O=C1N(CCCCCCN2CCN(CC2)c2cccc3ccccc23)S(=O)(=O)c2ccccc12
FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
FC(F)(F)c1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1ccc(cc1Cl)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1cccc(N2CCN(CCCCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1Cl
Clc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Fc1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1ccccc1N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
O=c1ccc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2[nH]1
O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)S(=O)(=O)c2ccccc12
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
O=C1N(CCCCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
COc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
O=C1N(CCCCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12
COc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
COc1c(C)ccc2C[C@H]3N(CCc4cccc(c34)-c12)C(C)C
COc1c(ccc2C[C@H]3N(C)CCc4cccc(c34)-c12)-c1ccco1
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
CN1CCc2cccc-3c2[C@H]1Cc1ccc(-c2ccccc2)c(O)c-31
CN1CCc2cccc-3c2[C@H]1Cc1ccc(C(C)=O)c(O)c-31
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(OC)c-31
COc1c(C)ccc2C[C@H]3NCCc4cccc(c34)-c12
CC(C)N1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
COc1c(C)ccc2C[C@H]3N(C)CCc4cccc(c34)-c12
COc1c(C=C)ccc2C[C@H]3N(C)CCc4cccc(c34)-c12
Cc1ccc2C[C@H]3NCCc4cccc(c34)-c2c1O
COc1c(OS(=O)(=O)C(F)(F)F)ccc2C[C@H]3N(C)CCc4cccc(c34)-c12
COc1c(C)ccc2C[C@H]3N(Cc4ccccc4)CCc4cccc(c34)-c12
COc1c(ccc2C[C@H]3N(C)CCc4cccc(c34)-c12)C(C)=O
CCc1ccc2C[C@H]3N(C)CCc4cccc(c34)-c2c1O
CCc1ccc2C[C@H]3N(C)CCc4cccc(c34)-c2c1OC
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(OS(=O)(=O)C(F)(F)F)c(OC)c-31
Cc1ccc2C[C@H]3N(Cc4ccccc4)CCc4cccc(c34)-c2c1O
CN1CCc2cccc-3c2[C@H]1Cc1cccc(C=C)c-31
Oc1cccc2C[C@H]3N(Cc4ccccc4)CCc4cccc(c34)-c12
CN1CCc2cccc-3c2[C@H]1Cc1cccc(C(N)=O)c-31
COc1cccc2C[C@H]3NCCc4cccc(c34)-c12
CN1CCc2cccc-3c2[C@H]1Cc1cccc(C)c-31
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC)c-31
COc1cccc2C[C@H]3N(Cc4ccccc4)CCc4cccc(c34)-c12
Oc1cccc2C[C@H]3NCCc4cccc(c34)-c12
COc1ccccc1-c1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
COc1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
COc1cccc2C[C@H]3N(CCc4cccc(c34)-c12)C(C)C
CN1CCc2cccc3-c4ccccc4C[C@@H]1c23
CCc1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12
CN1CCc2cccc-3c2[C@H]1Cc1cccc(C(C)=O)c-31
CC(C)N1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r|
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
CN1CCc2cccc-3c2[C@H]1Cc1cccc(OS(=O)(=O)C(F)(F)F)c-31
CN1CCc2cccc-3c2[C@H]1Cc1cccc(C#N)c-31
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN(C)[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12CCN(C)[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r|
CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
CC[C@H]1c2c(OC[C@@]1(C)N)ccc1ccccc21 |r|
COc1cccc2OCC3(CCCN3CCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
CCCN1CCCC11COc2cccc(O)c2C1
CCCN1CCCC11COc2cccc(OC)c2C1
COc1cccc2OCC3(CCCCN3CCCCNC(=O)c3ccc(F)cc3)Cc12
COc1cccc2OCC3(CCCN3C(C)=O)Cc12
CCCN1C(=O)CCC11COc2cccc(OC)c2C1
COc1cccc2OCC3(CCC(=O)N3)Cc12
COc1cccc2OCC3(CCCCN3CCCCNS(=O)(=O)c3ccc(C)cc3)Cc12
CCCN1CCCC11COc2cccc(OCCCCN3C(=O)CC4(CCCC4)CC3=O)c2C1
COc1cccc2OCC3(CCCCN3CCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
CCCN1CCCCC11COc2cccc(OC)c2C1
CCCN1CCCC11COc2ccccc2C1
COc1cccc2OCC3(CCCN3)Cc12
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCCC11COc2ccccc2C1
N[C@@H]1CCc2c(F)cccc2C1
CCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
CCCN[C@@H]1CCc2c(F)cccc2C1
Fc1cccc2C[C@@H](CCc12)NCc1ccccc1
CCCN(Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)cccc2C1
Fc1cccc2C[C@@H](CCc12)NCCCCN1C(=O)CC2(CCCC2)CC1=O
CCCN(C(C)C)[C@@H]1CCc2c(F)cccc2C1
CC(C)N[C@@H]1CCc2c(F)cccc2C1
CCCCN(CCC)[C@@H]1CCc2c(F)cccc2C1
CCCCN[C@@H]1CCc2c(F)cccc2C1
Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1ccc(F)cc1
Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(Cl)c1
Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1ccc(F)cc1
Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(Cl)c1
Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Oc1c2CCCCn2c(=O)n1CCN1CCN(CC1)c1ccc(F)cc1
Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc(Cl)c1
Oc1c2CCCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(Cl)c1
COc1ccccc1N1CCN(CCn2c(O)c3CCCCn3c2=O)CC1
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc(c1)C(F)(F)F
Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1ccc(F)cc1
Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc(Cl)c1
Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1ccccc1
Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc(c1)C(F)(F)F
Oc1c2CCCCn2c(=O)n1CCCN1CCN(CC1)c1ccc(F)cc1
Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1ccccc1
Oc1c2CCCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1ccccc1N1CCN(CCn2c(O)c3CCCn3c2=O)CC1
Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1cccc(Cl)c1
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1
Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1ccccc1
Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1ccc(F)cc1
Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
COc1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Oc1c2CCCCn2c(=O)n1CCCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(Cl)c1
Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Oc1c2CCCCn2c(=O)n1CCN1CCN(CC1)c1ccccc1
Oc1c2CCCCn2c(=O)n1CCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
COc1ccccc1N1CCN(CCCCn2c(O)c3CCCCn3c2=O)CC1
COc1ccccc1N1CCN(CCCn2c(O)c3CCCCn3c2=O)CC1
Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1ccccc1
Oc1c2CCCCn2c(=O)n1CCN1CCN(CC1)c1cccc(Cl)c1
Oc1c2CCCCn2c(=O)n1CCCN1CCN(CC1)c1ccccc1
Oc1c2CCCCn2c(=O)n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1ccccc1N1CCN(Cn2c(O)c3CCCCn3c2=O)CC1
Oc1c2CCCn2c(=O)n1CCN1CCN(CC1)c1ccc(F)cc1
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccc(F)cc1
COc1ccccc1N1CCN(Cn2c(O)c3CCCn3c2=O)CC1
Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1
Nc1cscc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Nc1sccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccnc1
Nc1ccncc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1c[nH]c2ccccc12
Nc1cccnc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cccnc12
Nc1c(sc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Nc1ccsc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1[nH]nc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2cc[nH]c12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCNc12
Nc1ncccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2CCCNc12
Nc1cnccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccncc1
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccn1
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2nc[nH]c12
CCN(CC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
CCCN(CCC)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
O=c1[nH]c(SCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc12
O=c1[nH]c(CCCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc12
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2cc(sc12)-c1ccccc1
O=c1[nH]c(SCCCN2CCC(Cc3ccccc3)CC2)nc2c3ccccc3sc12
Nn1c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc2c1=O
O=c1[nH]c(CCCCCN2CCN(Cc3ccccc3)CC2)nc2c3ccccc3sc12
O=c1[nH]c(CCCCCN2CCC(Cc3ccccc3)CC2)nc2c3ccccc3sc12
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc12
Cn1c(CCCCN2CCN(CC2)c2ccccc2)nc2c3ccccc3sc2c1=O
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2ccsc12
COc1ccc(Cl)cc1N1CCN(CCCCc2nc3ccsc3c(=O)[nH]2)CC1
O=c1[nH]c(CCCCN2CCN(Cc3ccccc3)CC2)nc2ccsc12
O=c1[nH]c(CCCCN2CCC(Cc3ccccc3)CC2)nc2ccsc12
COC(=O)c1sccc1NC(=O)CCCCN1CCN(CC1)c1ccccc1
NC(=O)c1sccc1NC(=O)CCCCN1CCN(CC1)c1ccccc1
O=c1[nH]c(SCCCN2CCN(Cc3ccccc3)CC2)nc2c3ccccc3sc12
O=c1[nH]c(CCCCN2CCN(Cc3ccccc3)CC2)nc2c3ccccc3sc12
Clc1cccc(c1)N1CCN(CCCCc2nc3c4ccccc4sc3c(=O)[nH]2)CC1
Clc1cccc(c1)N1CCN(CCCCc2nc3ccsc3c(=O)[nH]2)CC1
O=c1[nH]c(CCCCN2CCC(Cc3ccccc3)CC2)nc2c3ccccc3sc12
NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCNCC3)cc12
CC(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
NCCc1c[nH]c2ccc(OCC(=O)N3CCC(CC3)C3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
NCCc1c[nH]c2ccc(OCCNC(=O)NCCOc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCc3ccccc3COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCCN3CCN(CCOc4ccc5[nH]cc(CCN)c5c4)CC3)cc12
NCCc1c[nH]c2ccc(OCCN3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
NCCc1c[nH]c2ccc(OCCCCCCNS(=O)(=O)c3ccc(cc3)-c3ccc(cc3)S(=O)(=O)NCCCCCCOc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(cc3)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
NCCc1c[nH]c2ccc(OCc3cccc(COc4ccc5[nH]cc(CCN)c5c4)c3)cc12
COc1ccc2[nH]cc(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccc(F)cc45)CC3)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)C3)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCCC(C4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
Fc1ccc2[nH]cc(C3CCCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)C3)c2c1
COc1ccc2[nH]cc(C3CCN(CCN4C(=O)CC(C4=O)c4c[nH]c5ccc(F)cc45)CC3)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(CC1)c1nsc2ccccc12
Fc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
Fc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
O=C1CC(C(=O)N1CCCCN1CCCC(C1)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CCN(CCCN4C(=O)CC(C4=O)c4c[nH]c5ccc(F)cc45)CC3)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
COc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(Cl)cc3)c2c1
COc1cccc(c1)-c1ccc(CNCCc2c[nH]c3ccc(OC)cc23)o1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cccc(O)c3)c2c1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cn[nH]c3)c2c1
COc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(OC)cc23)o1
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(F)cc23)o1
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3cc(F)ccc23)o1
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(Cl)cc23)o1
FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3cnc4ccccc4c3)c2c1
COc1cccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c12
Cc1ccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(O)cc3)c2c1
CN(CCc1c[nH]c2ccccc12)Cc1ccc(o1)-c1ccccc1
C(Cc1c[nH]c2ccccc12)NCc1ccc(o1)-c1ccccc1
[H][C@]1(CO)COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CC\C=C\c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCCc2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
CC1CN(CC(C)N1CCNC(=O)c1ccc(F)cc1)c1cccc2OCCOc12
OC[C@@H]1COc2c(O1)cccc2N1CCNCC1
COc1ccccc1N1CCN(CCOCc2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2cccs2)CC1
COc1ccccc1N1CCN(CCNC(=N)C2CCCCC2)CC1
COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCNC(=O)C2CCCCC2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCOc2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
COc1ccccc1N1CCN(CCNC(=O)c2ccco2)CC1
COc1ccccc1N1CCN(CCNC(C)=O)CC1
COc1ccccc1N1CCN(CCCC(O)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCNC(=S)C2CCCCC2)CC1
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12
Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](N)[C@H](F)CC1 |r|
COc1ccccc1N1CCN(CCCSc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1
COc1ccccc1N1CCN(CCCSc2nc3sc4ccccc4c3c(=O)[nH]2)CC1
Cc1sc2nc(SCCCN3CCN(CC3)c3cccc4ccccc34)[nH]c(=O)c2c1C
COc1ccccc1N1CCN(CCCSc2nc3sc4CCCCc4c3c(=O)n2C)CC1
Cc1sc2nc(SCCCN3CCN(CC3)c3cccc(Cl)c3)[nH]c(=O)c2c1C
COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2C)CC1
O=c1[nH]c(SCCCN2CCN(CC2)c2ncccn2)nc2sc3CCCCc3c12
COc1ccccc1N1CCN(CCSc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1
COc1ccccc1N1CCN(CCCSc2nc3ccccc3c(=O)n2N)CC1
COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c(=O)c2c1C
COc1ccccc1C1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2N)CC1
COc1ccccc1N1CCN(CCCOc2nc(SC)nc3sc4CCCCc4c23)CC1
Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)n(C)c(=O)c2c1C
Clc1ccccc1N1CCN(CCCSc2nc3sc4CCCCc4c3c(=O)[nH]2)CC1
COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1
Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3Cl)[nH]c(=O)c2c1C
Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3)n(N)c(=O)c2c1C
COc1ccccc1N1CCN(CCc2nn3c(nc4sc(C)c(C)c4c3=O)s2)CC1
COc1ccccc1N1CCN(CCCSc2nc3sc(C)c(C)c3c(=O)n2Nc2ccccc2)CC1
O=c1[nH]c(SCCCN2CCN(CC2)c2cccc3ccccc23)nc2sc3CCCCc3c12
COc1ccccc1N1CCN(CCCSc2nc3sccc3c(=O)n2N)CC1
Cc1sc2nc(SCCCN3CCN(CC3)c3ncccn3)[nH]c(=O)c2c1C
COc1ccccc1N1CCN(CCCSc2nc3sc4CCCCc4c3c(=O)n2N)CC1
COc1ccccc1N1CCN(CCCn2c(SC)nc3sc4CCCCc4c3c2=O)CC1
COc1ccccc1N1CCN(CCCSc2nc3sc(cc3c(=O)[nH]2)-c2ccccc2)CC1
O=c1[nH]c(SCCCN2CCN(CC2)c2cccc3ccccc23)nc2sc(cc12)-c1ccccc1
CN(C)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
CN(C)[C@@H]1Cc2cccc3ncn(C1)c23
CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
CN[C@@H]1Cc2cccc3ncn(C1)c23
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
COc1ccccc1N1CCN(CCCN2CC3CCCCN3C2)CC1
Clc1cccc(c1)N1CCN(CCCCN2CC3CCCCN3C2)CC1
COc1ccccc1N1CCN(CCCCN2CC3CCCCN3C2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2CC3CCCN3C2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN2CC3CCCCN3C2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2CC3CCCCN3C2)CC1
Clc1cccc(c1)N1CCN(CCCCN2CC3CCCN3C2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN2CC3CCCN3C2)CC1
COc1ccccc1N1CCN(CCCCN2CC3CCCN3C2)CC1
COc1ccccc1N1CCN(CCCN2CC3CCCN3C2)CC1
Cc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1
COc1cc(CCN)c2CCOc2c1OC
CCOc1c(OC)cc(CCN)cc1OC
Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
COc1ccc(cc1C#CCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
CN(C)CCCc1cc(ccc1O)C(=O)Nc1ccc(cc1)-c1ccncc1
COc1ccc(cc1\C=C\CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(Cc4ccccc4C)CC3)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3cccc4OCCOc34)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C)cc12
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C2=NOC(C)N2)cc1N1CCN(C)CC1 |t:24|
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3c(C)cc(C)cc3C)cc12
COc1ccc2ccc(cc2c1)N1CCNCC1
COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
COc1ccccc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCN2C(CCC2=O)c2ccc(I)cc2)CC1
COc1ccccc1N1CCN(CCN2C(c3ccc(cc3C2=O)[N+]([O-])=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCN2C(=O)c3cc(N)ccc3C2(O)c2ccccc2)CC1
COc1ccc(cc1N1CCN(CCN2C(=O)c3cc(I)ccc3C2(O)c2ccccc2)CC1)[N+]([O-])=O
COc1ccccc1N1CCN(CCN2C(c3ccccc3C2=O)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN2C(=O)c3cc(I)ccc3C2(O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCN2C(c3ccccc3C2=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCn2c3ccccc3c3ccccc3c2=O)CC1
COc1ccccc1N1CCN(CCN2C(CCC2=O)c2ccc(Br)cc2)CC1
COc1ccccc1N1CCN(CCN2C(=O)c3cc(ccc3C2(O)c2ccccc2)[N+]([O-])=O)CC1
COc1ccc(cc1N1CCN(CCN2C(c3ccc(I)cc3C2=O)c2ccccc2)CC1)[N+]([O-])=O
COc1ccccc1N1CCN(CCN2Cc3ccccc3C2=O)CC1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c4CCCCc4nc4ccccc34)c2c1
C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O
C1CC(CCC1Nc1ncccn1)N1CCN(CC1)c1ccccc1 |(8.5,-10.43,;10.04,-10.36,;10.74,-8.99,;9.9,-7.69,;8.36,-7.77,;7.66,-9.13,;6.12,-9.2,;5.28,-7.92,;3.77,-7.99,;2.93,-6.71,;3.63,-5.33,;5.17,-5.26,;6.01,-6.54,;12.28,-8.9,;13.12,-10.21,;14.66,-10.13,;15.34,-8.75,;14.5,-7.45,;12.98,-7.54,;16.88,-8.67,;17.72,-9.95,;19.24,-9.86,;19.94,-8.5,;19.09,-7.21,;17.56,-7.31,)|
C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@H](CC1)Nc1ncccn1 |wU:17.22,14.15,(9.21,-6,;10.05,-7.3,;11.58,-7.21,;12.42,-8.52,;13.96,-8.42,;14.64,-7.05,;13.8,-5.77,;12.28,-5.84,;16.18,-6.98,;17.02,-8.26,;18.53,-8.17,;19.23,-6.81,;18.39,-5.51,;16.85,-5.6,;7.67,-6.09,;6.97,-7.44,;5.43,-7.51,;4.59,-6.23,;5.31,-4.86,;6.83,-4.79,;3.05,-6.3,;2.21,-5.02,;.7,-5.09,;-.14,-3.81,;.56,-2.43,;2.1,-2.36,;2.94,-3.64,)|
C(CN1CCc2ccccc2C1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:15.20,wD:12.13,(10.31,-5.42,;11.15,-6.7,;12.69,-6.63,;13.39,-5.25,;14.9,-5.18,;15.74,-6.44,;17.26,-6.35,;18.12,-7.61,;17.47,-9.01,;15.93,-9.12,;15.07,-7.84,;13.53,-7.91,;8.77,-5.49,;7.93,-4.2,;6.42,-4.27,;5.7,-5.65,;6.53,-6.93,;8.07,-6.86,;4.16,-5.72,;3.32,-4.41,;4.04,-3.06,;3.2,-1.76,;1.66,-1.83,;.96,-3.2,;1.8,-4.51,)|
COc1ccc(cc1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:17.21,wD:14.14,(20.52,-8.07,;19.67,-6.75,;18.13,-6.85,;17.27,-5.56,;15.74,-5.65,;15.06,-7.01,;15.89,-8.3,;17.43,-8.23,;13.51,-7.1,;12.82,-8.49,;11.27,-8.56,;10.43,-7.27,;8.88,-7.34,;8.04,-6.05,;6.51,-6.12,;5.67,-4.83,;4.13,-4.9,;3.42,-6.29,;4.26,-7.57,;5.81,-7.5,;1.87,-6.36,;1.03,-5.04,;1.76,-3.69,;.91,-2.37,;-.63,-2.44,;-1.34,-3.83,;-.49,-5.14,;11.13,-5.89,;12.67,-5.82,)|
CN(CC[C@H]1CC[C@@H](CC1)Nc1ncccn1)CCc1ccccc1 |wU:7.10,wD:4.3,(13.32,-3.92,;12.62,-5.3,;11.08,-5.37,;10.24,-4.09,;8.7,-4.16,;7.86,-2.87,;6.35,-2.94,;5.63,-4.32,;6.46,-5.6,;8,-5.53,;4.09,-4.39,;3.25,-3.08,;3.97,-1.73,;3.13,-.43,;1.59,-.5,;.89,-1.87,;1.73,-3.18,;13.46,-6.58,;14.97,-6.51,;15.81,-7.79,;17.35,-7.72,;18.19,-9.01,;17.49,-10.38,;15.95,-10.45,;15.11,-9.17,)|
CN([C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)c1ncccn1 |wU:2.1,wD:5.5,(2.36,-7.7,;3.06,-6.33,;4.6,-6.26,;5.31,-4.88,;6.85,-4.81,;7.69,-6.11,;9.22,-6.03,;10.06,-7.32,;11.6,-7.25,;12.3,-5.87,;13.84,-5.8,;14.68,-7.08,;13.98,-8.46,;12.44,-8.54,;16.22,-7,;16.9,-5.63,;18.43,-5.54,;19.28,-6.83,;18.58,-8.19,;17.05,-8.28,;6.99,-7.48,;5.45,-7.55,;2.22,-5.03,;.7,-5.12,;-.14,-3.82,;.56,-2.44,;2.1,-2.37,;2.94,-3.67,)|
C(CN1CCN(CC1)c1cnccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.2,-6.02,;10.04,-7.31,;11.58,-7.23,;12.42,-8.52,;13.96,-8.45,;14.65,-7.08,;13.82,-5.79,;12.28,-5.86,;16.19,-6.98,;16.87,-5.63,;18.39,-5.54,;19.25,-6.82,;18.55,-8.17,;17.01,-8.27,;7.67,-6.1,;6.83,-4.81,;5.3,-4.88,;4.6,-6.25,;5.44,-7.54,;6.97,-7.47,;3.06,-6.31,;2.22,-5.02,;.7,-5.11,;-.13,-3.81,;.57,-2.43,;2.11,-2.36,;2.94,-3.66,)|
C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.21,-6.02,;10.05,-7.32,;11.59,-7.24,;12.43,-8.53,;13.97,-8.45,;14.66,-7.08,;13.82,-5.79,;12.29,-5.86,;16.2,-6.99,;17.03,-8.27,;18.56,-8.18,;19.26,-6.83,;18.41,-5.53,;16.88,-5.63,;7.68,-6.1,;6.84,-4.81,;5.31,-4.88,;4.6,-6.26,;5.44,-7.54,;6.98,-7.47,;3.06,-6.33,;2.22,-5.03,;.7,-5.11,;-.14,-3.81,;.56,-2.44,;2.1,-2.37,;2.94,-3.67,)|
Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)Nc3ncccn3)CC2)c1Cl |wU:15.18,wD:12.11,(19.11,-4.18,;18.42,-5.56,;19.28,-6.84,;18.57,-8.23,;17.04,-8.3,;16.21,-7.01,;14.66,-7.1,;13.82,-5.81,;12.29,-5.88,;11.59,-7.27,;10.04,-7.34,;9.2,-6.05,;7.66,-6.12,;6.82,-4.83,;5.29,-4.9,;4.57,-6.28,;5.42,-7.57,;6.96,-7.5,;3.03,-6.35,;2.19,-5.04,;.66,-5.13,;-.18,-3.82,;.52,-2.44,;2.07,-2.37,;2.91,-3.68,;12.43,-8.55,;13.98,-8.48,;16.89,-5.65,;16.04,-4.36,)|
C(CN1CCN(CC1)c1ccccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.19,-6.02,;10.03,-7.31,;11.57,-7.24,;12.41,-8.52,;13.95,-8.45,;14.64,-7.07,;13.8,-5.79,;12.27,-5.86,;16.18,-6.98,;17,-8.26,;18.54,-8.19,;19.23,-6.82,;18.38,-5.53,;16.86,-5.63,;7.67,-6.09,;6.83,-4.81,;5.3,-4.88,;4.59,-6.26,;5.43,-7.54,;6.97,-7.47,;3.05,-6.33,;2.21,-5.02,;.7,-5.11,;-.14,-3.81,;.56,-2.43,;2.1,-2.36,;2.94,-3.67,)|
C(CN1CCN(CC1)c1ncccn1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.2,-6.02,;10.04,-7.31,;11.58,-7.23,;12.42,-8.52,;13.96,-8.45,;14.65,-7.08,;13.82,-5.78,;12.28,-5.86,;16.19,-6.98,;17.01,-8.27,;18.55,-8.17,;19.24,-6.82,;18.39,-5.54,;16.87,-5.63,;7.67,-6.1,;6.83,-4.81,;5.3,-4.88,;4.6,-6.25,;5.43,-7.54,;6.97,-7.47,;3.06,-6.31,;2.22,-5.02,;.7,-5.11,;-.13,-3.81,;.57,-2.43,;2.11,-2.36,;2.94,-3.66,)|
C(CN1CCN(CC1)c1nccs1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:16.21,wD:13.14,(9.51,-6.02,;10.35,-7.3,;11.89,-7.23,;12.59,-5.86,;14.13,-5.79,;14.95,-7.07,;14.27,-8.45,;12.73,-8.52,;16.49,-6.98,;17.32,-5.7,;18.8,-6.07,;18.9,-7.61,;17.46,-8.17,;7.98,-6.09,;7.14,-4.81,;5.62,-4.88,;4.92,-6.25,;5.74,-7.54,;7.28,-7.47,;3.38,-6.3,;2.54,-5.02,;3.25,-3.67,;2.42,-2.36,;.89,-2.43,;.19,-3.81,;1.01,-5.11,)|
Fc1ccc(cc1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:16.20,wD:13.13,(20.1,-6.75,;18.55,-6.85,;17.69,-5.56,;16.16,-5.65,;15.48,-7.01,;16.31,-8.3,;17.85,-8.23,;13.94,-7.11,;13.24,-8.49,;11.7,-8.56,;10.85,-7.27,;9.31,-7.34,;8.46,-6.05,;6.93,-6.12,;6.09,-4.83,;4.55,-4.9,;3.84,-6.29,;4.69,-7.57,;6.23,-7.5,;2.3,-6.36,;1.45,-5.04,;2.18,-3.69,;1.34,-2.37,;-.21,-2.44,;-.91,-3.83,;-.07,-5.14,;11.56,-5.89,;13.09,-5.82,)|
C(CN1CCC(=CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,c:5,(9.23,-6.05,;10.08,-7.34,;11.62,-7.27,;12.47,-8.55,;14.01,-8.48,;14.71,-7.1,;13.86,-5.82,;12.33,-5.89,;16.25,-7.01,;17.08,-8.3,;18.62,-8.23,;19.32,-6.85,;18.46,-5.56,;16.93,-5.65,;7.7,-6.12,;6.86,-4.83,;5.32,-4.9,;4.61,-6.28,;5.46,-7.57,;7,-7.5,;3.07,-6.35,;2.22,-5.04,;.7,-5.14,;-.14,-3.82,;.56,-2.44,;2.11,-2.37,;2.95,-3.68,)|
FC(F)(F)c1cccc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:19.23,wD:16.16,(20.01,-4.08,;18.46,-4.18,;17.62,-2.89,;19.63,-5.21,;17.78,-5.56,;18.62,-6.85,;17.92,-8.23,;16.4,-8.3,;15.56,-7.01,;16.24,-5.65,;14.01,-7.1,;13.33,-8.48,;11.79,-8.55,;10.94,-7.27,;9.4,-7.34,;8.55,-6.05,;7.01,-6.12,;6.17,-4.83,;4.64,-4.9,;3.92,-6.28,;4.76,-7.57,;6.31,-7.5,;2.37,-6.35,;1.53,-5.04,;.01,-5.14,;-.84,-3.82,;-.13,-2.44,;1.41,-2.37,;2.26,-3.68,;11.65,-5.89,;13.17,-5.82,)|
C([C@H]1CC[C@@H](CC1)Nc1ncccn1)N1CCN(CC1)c1ccccc1 |wU:4.7,wD:1.0,(7.44,-9.5,;6.6,-8.2,;7.3,-6.83,;6.46,-5.54,;4.91,-5.61,;4.22,-6.99,;5.06,-8.3,;4.07,-4.33,;4.76,-2.95,;3.91,-1.67,;4.61,-.29,;6.16,-.21,;7,-1.5,;6.3,-2.88,;8.98,-9.41,;9.69,-8.05,;11.21,-7.96,;12.06,-9.26,;11.37,-10.64,;9.83,-10.71,;13.6,-9.17,;14.43,-10.46,;15.96,-10.37,;16.66,-9.01,;15.81,-7.72,;14.28,-7.81,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)C1CCCCC1 |wU:6.6,wD:3.2,(1.34,-9.45,;2.88,-9.43,;3.66,-8.1,;5.2,-8.1,;5.97,-9.43,;7.51,-9.42,;8.29,-8.08,;9.83,-8.08,;10.6,-6.74,;12.14,-6.71,;12.89,-5.36,;14.44,-5.33,;15.22,-6.65,;14.48,-7.98,;12.94,-8.02,;16.77,-6.62,;17.56,-7.94,;19.09,-7.91,;19.85,-6.56,;19.04,-5.22,;17.5,-5.27,;7.51,-6.76,;5.96,-6.77,;3.66,-10.76,;5.19,-10.76,;5.95,-12.1,;5.18,-13.42,;3.66,-13.42,;2.88,-12.1,)|
COc1ccccc1N1CCN(CC[C@H]2CC[C@@H](CC2)Nc2ncccn2)CC1 |wU:17.21,wD:14.14,(16.78,-2.98,;16.09,-4.37,;16.94,-5.65,;18.47,-5.56,;19.33,-6.85,;18.62,-8.23,;17.09,-8.3,;16.26,-7.01,;14.71,-7.11,;14.02,-8.49,;12.47,-8.56,;11.63,-7.27,;10.08,-7.34,;9.24,-6.05,;7.71,-6.12,;6.86,-4.83,;5.33,-4.9,;4.62,-6.29,;5.46,-7.57,;7,-7.5,;3.07,-6.36,;2.23,-5.04,;2.95,-3.69,;2.11,-2.37,;.56,-2.44,;-.14,-3.83,;.7,-5.14,;12.33,-5.89,;13.87,-5.82,)|
C(CN1CCN(CC1)c1ccncc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.19,-6,;10.03,-7.3,;11.57,-7.21,;12.41,-8.52,;13.95,-8.45,;14.62,-7.07,;13.78,-5.77,;12.27,-5.86,;16.16,-6.98,;17,-8.26,;18.52,-8.17,;19.21,-6.81,;18.38,-5.53,;16.84,-5.63,;7.65,-6.09,;6.81,-4.79,;5.3,-4.88,;4.58,-6.23,;5.42,-7.54,;6.95,-7.47,;3.04,-6.3,;2.2,-5.02,;.68,-5.09,;-.16,-3.81,;.54,-2.43,;2.08,-2.36,;2.92,-3.64,)|
C(CN1CCN(CC1)c1cccnc1)[C@H]1CC[C@@H](CC1)Nc1ncccn1 |wU:17.22,wD:14.15,(9.24,-6.05,;10.08,-7.34,;11.63,-7.27,;12.47,-8.56,;14.02,-8.49,;14.71,-7.11,;13.87,-5.82,;12.33,-5.89,;16.26,-7.01,;17.09,-8.3,;18.62,-8.23,;19.33,-6.85,;18.47,-5.56,;16.94,-5.65,;7.71,-6.12,;6.86,-4.83,;5.33,-4.9,;4.62,-6.29,;5.46,-7.57,;7,-7.5,;3.07,-6.36,;2.23,-5.04,;.7,-5.14,;-.14,-3.83,;.56,-2.44,;2.11,-2.37,;2.95,-3.69,)|
C(CN1CCN(CC1)c1ccccc1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccccc12 |wU:17.22,wD:14.15,(10.31,-6.02,;11.15,-7.32,;12.69,-7.24,;13.39,-5.86,;14.93,-5.79,;15.76,-7.07,;15.07,-8.45,;13.53,-8.53,;17.3,-7,;17.99,-5.63,;19.5,-5.53,;20.36,-6.83,;19.66,-8.19,;18.13,-8.28,;8.79,-6.11,;7.95,-4.81,;6.42,-4.88,;5.72,-6.26,;6.55,-7.54,;8.09,-7.47,;4.18,-6.33,;3.34,-5.04,;4.04,-3.66,;3.23,-2.36,;1.69,-2.43,;.99,-3.81,;-.55,-3.87,;-1.26,-5.23,;-.44,-6.54,;1.1,-6.47,;1.8,-5.11,)|
C(C[C@H]1CC[C@@H](CC1)Nc1ncccn1)CN1CCN(CC1)c1ccccc1 |wU:5.8,wD:2.1,(7.79,-8.8,;6.25,-8.89,;5.4,-7.59,;6.11,-6.22,;5.26,-4.94,;3.72,-5.01,;3.03,-6.39,;3.87,-7.7,;2.88,-3.72,;3.56,-2.34,;2.72,-1.06,;3.42,.32,;4.97,.4,;5.81,-.89,;5.11,-2.27,;8.63,-10.11,;10.18,-10.01,;11.02,-11.32,;12.56,-11.24,;13.25,-9.86,;12.41,-8.56,;10.88,-8.64,;14.79,-9.78,;15.63,-11.07,;17.16,-10.97,;17.86,-9.61,;16.99,-8.31,;15.47,-8.41,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccccc2)CC1)c1cccs1 |wU:6.6,wD:3.2,(-4.1,-5.89,;-2.56,-5.89,;-1.79,-4.56,;-.25,-4.55,;.52,-5.88,;2.06,-5.86,;2.83,-4.53,;4.37,-4.53,;5.14,-3.2,;6.68,-3.16,;7.43,-1.82,;8.97,-1.78,;9.75,-3.1,;9.01,-4.44,;7.47,-4.46,;11.29,-3.06,;12.09,-4.39,;13.63,-4.36,;14.37,-3.01,;13.56,-1.69,;12.02,-1.73,;2.05,-3.2,;.51,-3.22,;-1.79,-7.22,;-.25,-7.3,;-.4,-9.95,;-1.93,-9.87,;-2.64,-8.5,)|
COc1ccccc1N1CCN(CCCCc2ccc3N(C)C(=O)COc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
Cn1c2ccc(CCN3CCN(CC3)c3ccccc3O)cc2sc1=O
CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Oc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Cn1c2ccc(CCN3CCN(CC3)c3ccccc3)cc2sc1=O
FC(F)(F)c1cccc(c1)N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCc2ccc3n(C)c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)sc3c2)CC1
Cn1c2ccc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
Cn1c2ccc(CCN3CCN(CC3)c3ccc(F)cc3)cc2sc1=O
CN1C(=O)COc2cc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
COc1ccccc1N1CCN(CCc2ccc3N(C)C(=O)COc3c2)CC1
Cn1c2ccc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
O=c1[nH]c2ccc(CCN3CCN(CC3)c3ccccc3)cc2s1
COc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
CCCN(CCC)[C@@H]1C[C@@H]2COc3ccc(OC)c(C1)c23
C[C@@H](N)Cc1c2CCOc2c(Br)c2CCOc12
COc1ccc2OC[C@H]3C[C@H](Cc1c23)N(C)C
COc1cc(C[C@@H](C)N)c(OC)cc1Br |r|
COc1ccc(cc1)N1CCN(CCC2OCCc3cc(ccc23)C(N)=O)CC1
COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 |r|
CNC(=O)c1ccc2[C@@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1
COc1ccc(cc1)N1CCN(CC[C@H]2OCCc3cc(ccc23)C(N)=O)CC1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c4CCCc4nc4ccccc34)c2c1
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC
COc1ccc(\C=C2/NC(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ncccn3)C2=O)cc1OC1CCCC1
COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC1CCCC1
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1OC
CN(C)CCSc1cccc(n1)-c1ccccc1
COc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1
Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|
CNC(=O)Cn1c2CCN(CCCCC34CCCc5cccc(NC3=O)c45)Cc2c2ccccc12
CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
O=C1Cc2ccccc2N1CC\C=C\CCN1CCc2ccccc2C1
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
Clc1ccc(cc1)-c1nn(Cc2ccccc2)c2CCNCCc12
CC(Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1
CC(Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1
CN(C)[C@H]1CCc2c(C1)cccc2-c1c(C)nn(C)c1C |r,wD:3.2,(25.25,-11.88,;25.26,-10.34,;26.59,-9.58,;23.93,-9.57,;23.93,-8.02,;22.58,-7.23,;21.24,-8.01,;21.24,-9.57,;22.58,-10.34,;19.91,-10.33,;18.58,-9.56,;18.58,-8.02,;19.91,-7.25,;19.9,-5.71,;21.14,-4.8,;22.6,-5.28,;20.66,-3.34,;19.12,-3.35,;18.21,-2.1,;18.65,-4.81,;17.18,-5.29,)|
COc1ccc(cc1)-c1ccccc1N1CCNCC1
CCOc1ccccc1N1CCN(CCCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
CN(C)CCc1cccc(c1)-c1c(C)nn(C)c1C
COc1cccc(OC)c1-c1cccc(CCN(C)C)c1
Clc1ccc(OC2CCN(CC[C@@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1 |r|
CN(C)CCc1cc(ccc1O)-c1c(C)nn(C)c1C
COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1
CSc1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
CN(C)c1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
COc1ccc(CCCCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Oc1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
CCCN(CCCCc1ccc2OCOc2c1)CCOc1cc(F)cc2C(=O)CCOc12
COc1ccccc1CCCCNCCOc1cc(F)cc2C(=O)CCOc12
COc1ccc(CCCCN(C)CCOc2cc(F)cc3C(=O)CCOc23)cc1
Fc1cc(OCCNCCCCc2ccc3OCOc3c2)c2OCCC(=O)c2c1
Fc1cc(OCCNCCCCc2ccccc2)c2OCCC(=O)c2c1
COc1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)c2ccccc12
CCCOc1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)(C)Oc23)cc1
COc1ccc(CCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
Fc1cc(OCCNCCCCc2ccc3OCCc3c2)c2OCCC(=O)c2c1
COc1ccc(CCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
COc1cccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)c1
COc1ccc(CCNCCOc2cc(F)cc3C(O)CCOc23)cc1
COc1ccc(CCCCNCCOc2cc(F)cc3C=CCOc23)cc1 |c:20|
Fc1cc(OCCNCCCCc2ccc(Cl)cc2)c2OCCC(=O)c2c1
[O-][N+](=O)c1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
COc1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
CCOc1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1
Fc1cc(OCCNCCCCc2ccc3OCCOc3c2)c2OCCC(=O)c2c1
COC1CCOc2c(OCCNCCCCc3ccc(OC)cc3)cc(F)cc12
COc1ccc(CCCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
COc1ccc(CCCCNCCOc2cc(F)cc3C(CCOc23)N=O)cc1
Fc1cc(OCCNCCCCc2ccc(cc2)C#N)c2OCCC(=O)c2c1
COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1
COc1ccc(CCCCNCCOc2cc(F)cc3C(=O)CCOc23)c(C)c1C
COc1ccc(CCNCCOc2cc(F)cc3C(=O)CCOc23)cc1
COc1cc(\C=C\C(=O)Oc2ccccc2)cc(OC)c1OC
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccn1
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
N[C@@H]1C[C@H]1c1c[nH]c2ccccc12
COc1cccc2[nH]cc(C3CC3N)c12
COc1ccc2[nH]cc(C3CC3N)c2c1
NC1CC1c1c[nH]c2ccc(F)cc12
N[C@H]1C[C@@H]1c1c[nH]c2ccccc12
C(COc1ccccc1)NCC1COC(OC1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
C(COc1ccccc1)NC[C@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
COc1ccccc1OCCNC[C@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
COc1ccccc1OCCNC[C@@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC1CCOC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1COC(OC1)(c1ccccc1)c1ccccc1
OCC(CNCCOc1ccccc1)OC(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCCC1COC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC[C@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
C(COC(c1ccccc1)c1ccccc1)NCCOc1ccccc1
C(COc1ccccc1)NC[C@@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCCC1COC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC[C@@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC[C@@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
C(COc1ccccc1)NCC[C@H]1CO[C@@H](O1)C(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1CCOC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC(CO)OC(c1ccccc1)c1ccccc1
CCN1CNC(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
CCCN1CN(C)C2(CCN(CCCOc3ccc(F)cc3)CC2)C1=O
CNC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)C(N)=O
CC(C)N1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CC(C)N1CNC(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
CN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CN1CNC(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
CCCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CC(C)NC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)C(N)=O
CCCN1CN(C)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
CN1CN(Cc2ccccc2)C(=O)C11CCN(CCCC(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)NCNC2=O
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)NC1CCCCC1
COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1cccc(F)c1
CCc1nc(NC(C)=O)[nH]c1-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3nc4NCCCn4c3C)c2c1)S(=O)(=O)c1ccccc1
Cc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3cnc(N)[nH]3)c2c1)S(=O)(=O)c1ccccc1
CCc1nc(N)[nH]c1-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1ccccc1
Cc1nc(N)[nH]c1-c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1
CC(=O)Nc1ncc([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
CC(=O)Nc1nc(C)c([nH]1)-c1c(C)n(c2ccccc12)S(=O)(=O)c1ccccc1 |(38.19,-30.7,;38.67,-32.16,;40.17,-32.48,;37.64,-33.31,;38.11,-34.77,;39.58,-35.25,;39.58,-36.79,;40.82,-37.69,;38.11,-37.26,;37.21,-36.02,;37.64,-38.72,;38.55,-39.98,;40.09,-39.97,;37.64,-41.23,;36.16,-40.75,;34.83,-41.52,;33.49,-40.75,;33.5,-39.21,;34.82,-38.44,;36.16,-39.2,;38.11,-42.69,;37.71,-44.18,;36.62,-43.08,;39.62,-43.02,;40.64,-41.87,;42.14,-42.18,;42.63,-43.65,;41.59,-44.79,;40.09,-44.48,)|
CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccc(F)cc12)S(=O)(=O)c1ccccc1
CCC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccc(OC)cc12)S(=O)(=O)c1cccc(F)c1
CCC(=O)Nc1nc(C)c([nH]1)-c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
O=S(=O)(c1ccccc1)n1cc(-c2c[n+]3cccnc3[nH]2)c2ccccc12
COc1ccc2n(cc(-c3[nH]c4nccc[n+]4c3C)c2c1)S(=O)(=O)c1ccccc1
CC(=O)Nc1nc(C)c([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1ccccc1
COc1ccc2n(cc(-c3[nH]c(NC(C)=O)nc3C)c2c1)S(=O)(=O)c1cccc(F)c1
CC(=O)N1CCn2c1nc(C)c2-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |(71.4,-24.98,;69.89,-25.31,;68.85,-24.18,;69.43,-26.78,;67.97,-27.27,;67.99,-28.81,;69.46,-29.27,;70.35,-28.02,;71.83,-28.49,;71.83,-30.03,;73.09,-30.93,;70.37,-30.51,;69.91,-31.98,;70.82,-33.22,;69.92,-34.48,;68.45,-34.01,;67.11,-34.79,;65.78,-34.02,;65.78,-32.47,;67.11,-31.7,;68.45,-32.47,;70.4,-35.93,;71.89,-35.53,;71.5,-37.02,;69.39,-37.09,;67.88,-36.77,;66.86,-37.92,;67.34,-39.38,;68.86,-39.69,;69.87,-38.54,)|
COc1ccc2n(cc(-c3[nH]c(N)nc3C)c2c1)S(=O)(=O)c1cccc2ccccc12
Nc1ncc([nH]1)-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Cc1nc(N)[nH]c1-c1cn(c2ccccc12)S(=O)(=O)c1cccc2ccccc12
CC(=O)N1CCCn2c1nc(C)c2-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |(12.77,-3.16,;11.24,-3.01,;10.6,-1.6,;10.34,-4.26,;8.81,-4.11,;7.92,-5.36,;8.56,-6.76,;10.08,-6.9,;10.98,-5.65,;12.45,-6.12,;12.46,-7.66,;13.71,-8.56,;11,-8.14,;10.53,-9.61,;11.45,-10.85,;10.55,-12.11,;9.08,-11.64,;7.74,-12.42,;6.4,-11.65,;6.41,-10.1,;7.73,-9.33,;9.07,-10.1,;11.03,-13.56,;12.51,-13.16,;12.12,-14.65,;10.01,-14.72,;8.51,-14.4,;7.48,-15.55,;7.97,-17.02,;9.48,-17.32,;10.5,-16.17,)|
COc1ccc2n(cc(-c3cnc(NC(C)=O)[nH]3)c2c1)S(=O)(=O)c1ccccc1
CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
FC(F)(F)c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
FC(F)(F)c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
FC(F)(F)c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
FC(F)(F)c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
O=[#6]-1-[#6]\[#6](=[#6](\c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
O=[#6]-1-[#6]\[#6](=[#6](/c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
O=[#6]-1-[#6]\[#6](=[#6](\c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
Oc1cccc(OCCNCc2ccccc2)c1
Oc1cccc(c1)N1CCN(Cc2ccccc2)CC1
CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)Nc1ccc(Cl)nn1
CN1C[C@H](CNC(=O)c2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C)C(=O)Nc1ccc(Cl)nn1
CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)Nc1nccs1
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C
CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4c(ccc2c34)C(C)(C)C)N(C)C1
C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cc(cc2c34)C(C)(C)C)N(C)C1
CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C)C(=O)Nc1ccc(Cl)nn1
CN1C[C@H](Cn2cc(O)[nH]c2=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
CN1C[C@H](CNC(=O)c2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C
CN1C[C@H](CNC(=S)NC(C)=O)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cc(cc2c13)C(C)(C)C)C(=O)Nc1nccs1
CN1C[C@H](CNC(=O)c2ccccc2)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c(ccc2c13)C(C)(C)C)C(=O)Nc1nccs1
CN1CCN(CC1)c1cccc2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)C(=O)COc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12
CCCN(CCC)C1CCc2cccc(OCCCCCCOc3cccc4CCC(Cc34)N(CCC)CCC)c2C1
CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4cccc(N5CCN(C)CC5)c4c3)cc12
CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12
Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(=O)N3
Cc1ccc(cc1C)N1CCN(CC[C@H]2NC(=O)c3ccccc23)CC1
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
CC(Sc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(COc2cccc(C)c2)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccccc2)n1
CC(C)c1ccc(C)cc1OCc1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(COc2ccccc2C)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccc(C)cc2)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)cc2Cl)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)c(C)c2)n1
CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(CSc2ccccc2Cl)n1
CN1CCN(CC1)c1nc(N)nc(C[Se]c2ccccc2)n1
CN1CCN(CC1)c1nc(N)nc(CS(=O)(=O)c2ccccc2Cl)n1
CN1CCN(CC1)c1nc(N)nc(COc2cccc(Cl)c2)n1
CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)cc2C)n1
CC(Oc1cccc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
CC([Se]c1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(COc2ccccc2Cl)n1
CN1CCN(CC1)c1nc(N)nc(CSc2ccccc2)n1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4C)C3)c2c1 |(45.69,-56.48,;44.67,-55.33,;43.16,-55.64,;42.68,-57.1,;41.17,-57.41,;40.15,-56.25,;38.62,-56.24,;38.16,-54.77,;39.41,-53.88,;39.42,-52.34,;40.76,-51.58,;40.78,-50.04,;39.45,-49.26,;38.12,-50.01,;36.79,-49.24,;35.45,-50,;34.12,-49.22,;32.78,-49.98,;31.45,-49.21,;31.46,-47.67,;32.8,-46.9,;30.13,-46.89,;28.8,-47.66,;27.47,-46.88,;26.14,-47.66,;26.14,-49.2,;27.47,-49.96,;28.79,-49.2,;30.12,-49.97,;30.11,-51.51,;30.14,-45.35,;28.81,-44.58,;28.81,-43.05,;30.15,-42.27,;31.48,-43.05,;31.47,-44.59,;32.8,-45.36,;38.1,-51.56,;40.65,-54.8,;42.15,-54.49,)|
Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(77.72,-5.34,;76.39,-4.57,;76.4,-3.03,;75.06,-2.26,;73.72,-3.03,;73.73,-4.57,;75.05,-5.33,;75.05,-6.87,;73.72,-7.64,;72.39,-6.86,;71.06,-7.64,;71.06,-9.18,;72.39,-9.94,;73.71,-9.18,;75.03,-9.95,;75.03,-11.49,;76.37,-9.19,;77.7,-9.97,;79.04,-9.2,;80.37,-9.98,;81.71,-9.22,;83.04,-10,;84.36,-9.24,;85.69,-10.02,;85.68,-11.57,;84.34,-12.32,;83.02,-11.54,;84.33,-13.86,;83.07,-14.75,;83.54,-16.22,;85.07,-16.24,;86.09,-17.39,;87.59,-17.08,;88.08,-15.62,;87.06,-14.47,;85.56,-14.78,;76.38,-7.65,;77.72,-6.89,)|
Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(10.75,-5.73,;9.42,-4.96,;9.42,-3.42,;8.09,-2.64,;6.75,-3.42,;6.75,-4.95,;8.08,-5.72,;8.07,-7.26,;6.74,-8.03,;5.41,-7.25,;4.08,-8.03,;4.08,-9.57,;5.41,-10.33,;6.74,-9.57,;8.06,-10.34,;8.05,-11.88,;9.4,-9.58,;10.73,-10.36,;12.06,-9.59,;13.39,-10.37,;14.73,-9.61,;16.06,-10.39,;17.39,-9.63,;18.72,-10.41,;18.7,-11.96,;17.36,-12.71,;16.04,-11.93,;17.35,-14.25,;16.1,-15.14,;16.56,-16.61,;18.1,-16.62,;19.11,-17.78,;20.62,-17.47,;21.11,-16.01,;22.61,-15.7,;20.09,-14.86,;18.59,-15.17,;9.4,-8.04,;10.74,-7.28,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5CCCCn5c4=O)C3)c2c1
O=c1c(-c2ccccc2)c2CCCCn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12
Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(55.11,-5.24,;53.78,-4.47,;53.79,-2.93,;52.45,-2.15,;51.11,-2.93,;51.12,-4.46,;52.44,-5.23,;52.44,-6.77,;51.11,-7.54,;49.78,-6.76,;48.45,-7.54,;48.45,-9.08,;49.78,-9.84,;51.1,-9.08,;52.42,-9.85,;52.42,-11.39,;53.76,-9.09,;55.09,-9.87,;56.43,-9.1,;57.76,-9.88,;59.1,-9.12,;60.43,-9.9,;61.75,-9.14,;63.08,-9.92,;63.07,-11.47,;61.73,-12.22,;60.41,-11.44,;61.72,-13.76,;60.46,-14.65,;60.93,-16.12,;62.46,-16.13,;63.48,-17.29,;64.98,-16.98,;65.47,-15.52,;64.45,-14.37,;62.95,-14.68,;53.77,-7.55,;55.11,-6.79,)|
Clc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(66.44,-55.06,;64.93,-55.37,;64.45,-56.83,;62.94,-57.13,;61.92,-55.98,;60.39,-55.97,;59.93,-54.5,;61.18,-53.61,;61.19,-52.07,;62.53,-51.31,;62.55,-49.77,;61.22,-48.98,;59.89,-49.74,;58.56,-48.96,;57.22,-49.73,;55.89,-48.95,;54.55,-49.71,;53.23,-48.93,;53.23,-47.39,;54.57,-46.63,;51.9,-46.61,;50.57,-47.38,;49.24,-46.61,;47.91,-47.38,;47.91,-48.92,;49.24,-49.69,;50.56,-48.92,;51.89,-49.69,;51.88,-51.23,;51.91,-45.08,;50.58,-44.31,;50.58,-42.78,;51.92,-42,;53.25,-42.78,;53.24,-44.31,;54.58,-45.09,;59.87,-51.29,;62.42,-54.52,;63.92,-54.22,)|
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)C3)c2c1 |(86.87,-54.87,;85.36,-55.18,;84.87,-56.64,;83.36,-56.95,;82.35,-55.79,;80.81,-55.78,;80.35,-54.31,;81.61,-53.42,;81.62,-51.88,;82.96,-51.12,;82.97,-49.58,;81.64,-48.8,;80.31,-49.56,;78.98,-48.78,;77.65,-49.54,;76.32,-48.76,;74.98,-49.53,;73.65,-48.75,;73.66,-47.21,;74.99,-46.45,;72.33,-46.43,;71,-47.2,;69.67,-46.42,;68.34,-47.2,;68.34,-48.74,;69.67,-49.5,;70.99,-48.74,;72.31,-49.51,;72.3,-51.05,;72.33,-44.89,;71,-44.12,;71,-42.59,;72.34,-41.81,;73.67,-42.59,;73.67,-44.13,;75,-44.9,;80.29,-51.1,;82.84,-54.34,;84.34,-54.03,)|
Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)C3)c2c1 |(23.43,-56.48,;22.41,-55.33,;20.9,-55.64,;20.42,-57.1,;18.91,-57.41,;17.89,-56.25,;16.36,-56.24,;15.9,-54.77,;17.15,-53.88,;17.16,-52.34,;18.5,-51.58,;18.51,-50.04,;17.18,-49.26,;15.86,-50.01,;14.53,-49.24,;13.19,-50,;11.86,-49.22,;10.52,-49.98,;9.19,-49.21,;9.2,-47.67,;10.54,-46.9,;7.87,-46.89,;6.54,-47.66,;5.21,-46.88,;3.88,-47.66,;3.88,-49.2,;5.21,-49.96,;6.53,-49.2,;7.86,-49.97,;7.85,-51.51,;7.87,-45.35,;6.55,-44.58,;6.55,-43.05,;7.89,-42.27,;9.22,-43.05,;9.21,-44.59,;10.54,-45.36,;15.84,-51.56,;18.39,-54.8,;19.89,-54.49,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4OC)C3)c2c1 |(68.42,-56.82,;67.4,-55.67,;65.89,-55.98,;65.4,-57.44,;63.89,-57.75,;62.88,-56.6,;61.34,-56.58,;60.88,-55.11,;62.14,-54.22,;62.15,-52.68,;63.49,-51.93,;63.5,-50.38,;62.17,-49.6,;60.85,-50.36,;59.52,-49.58,;58.18,-50.34,;56.85,-49.56,;55.51,-50.33,;54.18,-49.55,;54.19,-48.01,;55.53,-47.25,;52.86,-47.23,;51.53,-48,;50.2,-47.22,;48.87,-48,;48.87,-49.54,;50.2,-50.3,;51.52,-49.54,;52.84,-50.31,;52.84,-51.85,;52.86,-45.69,;51.54,-44.93,;51.53,-43.39,;52.87,-42.62,;54.21,-43.39,;54.2,-44.93,;55.53,-45.7,;56.87,-44.94,;60.83,-51.9,;63.37,-55.14,;64.87,-54.83,)|
Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)C3)c2c1
Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(33.29,-6.1,;31.96,-5.32,;31.97,-3.79,;30.64,-3.01,;29.3,-3.78,;29.3,-5.32,;30.63,-6.09,;30.62,-7.62,;29.29,-8.39,;27.96,-7.61,;26.63,-8.39,;26.63,-9.93,;27.96,-10.69,;29.28,-9.93,;30.61,-10.7,;30.6,-12.24,;31.94,-9.94,;33.27,-10.72,;34.61,-9.96,;35.94,-10.74,;37.28,-9.97,;38.61,-10.75,;39.94,-9.99,;41.27,-10.78,;41.25,-12.32,;39.91,-13.08,;38.59,-12.3,;39.9,-14.62,;38.65,-15.51,;39.11,-16.98,;40.64,-16.99,;41.66,-18.14,;43.17,-17.84,;43.65,-16.37,;42.64,-15.23,;41.14,-15.53,;31.95,-8.4,;33.29,-7.64,)|
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)C3)c2c1
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O
COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(14.06,-25.37,;12.72,-26.14,;11.39,-25.36,;11.4,-23.82,;10.06,-23.05,;8.72,-23.82,;8.73,-25.36,;10.05,-26.12,;10.05,-27.66,;8.72,-28.43,;7.39,-27.65,;6.06,-28.43,;6.06,-29.97,;7.39,-30.73,;8.71,-29.97,;10.03,-30.74,;10.03,-32.28,;11.37,-29.98,;12.7,-30.76,;14.04,-29.99,;15.37,-30.77,;16.71,-30.01,;18.04,-30.79,;19.36,-30.03,;20.69,-30.81,;20.68,-32.36,;19.34,-33.11,;18.02,-32.34,;19.33,-34.65,;18.07,-35.55,;18.53,-37.01,;20.07,-37.03,;21.09,-38.18,;22.59,-37.88,;23.08,-36.41,;22.06,-35.26,;20.56,-35.57,;11.38,-28.44,;12.72,-27.68,)|
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1
COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(34.44,-5.01,;33.1,-5.77,;31.77,-5,;31.78,-3.46,;30.44,-2.68,;29.1,-3.46,;29.1,-4.99,;30.43,-5.76,;30.43,-7.3,;29.1,-8.07,;27.77,-7.29,;26.44,-8.07,;26.44,-9.61,;27.77,-10.37,;29.09,-9.61,;30.41,-10.38,;30.4,-11.92,;31.75,-9.62,;33.08,-10.4,;34.42,-9.63,;35.75,-10.41,;37.09,-9.65,;38.42,-10.43,;39.74,-9.67,;41.07,-10.45,;41.06,-11.99,;39.72,-12.75,;38.4,-11.97,;39.71,-14.29,;38.45,-15.18,;38.91,-16.65,;40.45,-16.66,;41.47,-17.82,;42.97,-17.51,;43.46,-16.05,;44.97,-15.74,;42.44,-14.9,;40.94,-15.21,;31.76,-8.08,;33.1,-7.31,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(87.71,-36.28,;86.68,-35.13,;85.17,-35.44,;84.69,-36.9,;83.18,-37.21,;82.16,-36.05,;80.63,-36.04,;80.17,-34.57,;81.42,-33.68,;81.43,-32.14,;82.77,-31.38,;82.79,-29.84,;81.46,-29.06,;80.13,-29.82,;78.8,-29.04,;77.46,-29.8,;76.13,-29.02,;74.79,-29.79,;73.46,-29.01,;73.47,-27.47,;74.81,-26.7,;72.14,-26.69,;70.81,-27.46,;69.48,-26.68,;68.15,-27.46,;68.15,-29,;69.48,-29.76,;70.8,-29,;72.13,-29.77,;72.12,-31.31,;72.15,-25.15,;70.82,-24.38,;70.82,-22.85,;72.16,-22.07,;73.49,-22.85,;73.48,-24.39,;74.81,-25.16,;80.11,-31.36,;82.66,-34.6,;84.16,-34.29,)|
Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCCOc34)c2c1
COc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1 |t:9|
COc1ccc(CN2CCC(=CC2)c2c[nH]c3ccc(OC(C)C)cc23)cc1 |c:10|
C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccco1 |c:4|
COc1ccc2[nH]cc(C3=CCN(Cc4ccco4)CC3)c2c1 |t:9|
CCOc1ccc2[nH]cc(C3=CCN(Cc4ccco4)CC3)c2c1 |t:10|
CC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1 |t:11|
CCOc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:10|
CC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:11|
COc1ccc(CN2CCC(=CC2)c2c[nH]c3ccc(OC)cc23)cc1 |c:10|
COc1cccc(CN2CCC(=CC2)c2c[nH]c3ccccc23)c1 |c:11|
COc1cccc(CN2CCC(=CC2)c2c[nH]c3ccc(OC)cc23)c1 |c:11|
COc1ccc2[nH]cc(C3=CCN(Cc4cc(=O)[nH]c5ccccc45)CC3)c2c1 |t:9|
C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1cccs1 |c:4|
COc1ccc(CN2CCC(=CC2)c2c[nH]c3ccccc23)cc1 |c:10|
CC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4ccco4)CC3)c2c1 |t:11|
CCOc1ccc2[nH]cc(C3=CCN(Cc4cccc(OC)c4)CC3)c2c1 |t:10|
CCOc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1 |t:10|
COc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1 |t:9|
CCOc1ccc2[nH]cc(C3=CCN(Cc4ccc(OC)cc4)CC3)c2c1 |t:10|
COc1cccc(CN2CCC(=CC2)c2c[nH]c3ccc(OC(C)C)cc23)c1 |c:11|
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
C(CCc1c[nH]c2ccccc12)CN1CCN(CC1)c1ccc2OCCOc2c1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Clc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
COc1cc2CCCN(CCCCN3CCN(CC3)c3ccccn3)C(=O)c2cc1OC
O[C@@H](COc1cccc2[nH]ccc12)CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1
O[C@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2ccccc12
O[C@@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
O[C@@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2ccccc12
OC(CNCCCCCCN1CC[C@@H]([C@@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1)COc1cccc2ccccc12
OC(CNCCCCCCN1CC[C@@H]([C@@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1)COc1cccc2[nH]ccc12
OC(CNCCCCCCNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2ccccc12
O[C@H](CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
OC(CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1ccccc1C1CCCC1
OC(CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)COc1cccc2[nH]ccc12
CCN(CC)C(=O)[C@]1(C[C@H]1CNCC(O)COc1cccc2[nH]ccc12)c1ccccc1
O[C@H](COc1cccc2[nH]ccc12)CN1CC[C@H]([C@H](COc2ccc3OCOc3c2)C1)c1ccc(F)cc1
CC(C)NC[C@@H](COc1cccc2c1cc[nH]2)O
OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O
Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2/c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
FC(F)(F)c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2/c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]\[#6]=[#6]\[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2/c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2/c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
O=[#6]-1-[#6]\[#6](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)=[#6]-1/c2ccccc2-c2ccccc-12
FC(F)(F)c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2/c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
FC(F)(F)c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2/c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
O=[#6]-1-[#6]\[#6](-[#6](=O)-[#7]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)=[#6]-1\c2ccccc2-c2ccccc-12
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]\[#6]=[#6]/[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
FC(F)(F)c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
Fc1ccc(cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]C#C[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](/c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2/c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
O=[#6]-1-[#6]\[#6](-[#6](=O)-[#7]-1-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)=[#6]-1/c2ccccc2-c2ccccc-12
Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2\c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](-[#6]-2=O)=[#6]-2/c3ccccc3-c3ccccc-23)-[#6]-[#6]-1
O=[#6]-1-[#6]\[#6](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)=[#6]-1\c2ccccc2-c2ccccc-12
Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
O=c1ccc2ccc(OCCCN3CCN(CC3)c3ccccc3)cc2o1
Cc1cc(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
Cc1c(C)c(=O)oc2cc(OCCCN3CCN(CC3)c3ccccc3)ccc12
COc1cc2nc(nc(NC(C)=O)c2cc1OC)N1CCN(CC1)C(C)=O
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(C)=O
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N(C)Cc1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C
COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)(c1ccccc1)c1ccccc1
COc1ccc(C[C@@H](C)Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1S(N)(=O)=O
COc1cc2nc(nc(N)c2cc1OC)N1CCc2c(C1)ccc1ccccc21
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)(C)Oc1c(OC)cccc1C(C)C
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N(C)CCC(c1ccccc1)c1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CC[N+]([O-])(Cc2ccccc2)CC1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)OCc1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(c1ccccc1)c1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCC(=O)c1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC(=O)c1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)(C)C
COc1cccc(OC)c1OCC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccco1
COc1ccccc1OCC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(Cc2ccccc2)CC1
COc1ccccc1OC(C)(C)C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1
COc1cc2nc(nc(N)c2cc1OC)N1CCc2ccccc2C1
COc1cc2CCN(Cc2cc1OC)c1nc(N)c2cc(OC)c(OC)cc2n1
COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3
COc1cccc2C(CCCc12)NCCCN1CCN(CC1)c1ccccc1OC
COc1cccc2[C@@H](CCCN3CCN(CC3)c3ccccn3)CCCc12
COc1cccc2[C@@H](CCCc12)NCCN1CCN(CC1)c1ccccc1OC
COc1cccc2[C@@H](CCCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
COc1cccc2[C@@H](CCCc12)NCCCN1CCN(CC1)c1ccccc1OC
COc1cccc2[C@@H](CCCN3CCN(CC3)c3ccccc3OC)CCCc12
COc1cccc2[C@@H](CCCN3CCN(CC3)c3ccccc3)CCCc12
COc1cccc2[C@H](CCCc12)NCCCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
COc1cccc2[C@H](CCCN3CCN(CC3)c3ccccc3OC)CCCc12
COc1cccc2[C@H](CCCc12)NCCN1CCN(CC1)c1ccccc1OC
COc1cccc2[C@H](CCCN3CCN(CC3)c3ccccc3)CCCc12
COc1cccc2[C@H](CCCN3CCN(CC3)c3ccccn3)CCCc12
COc1cccc2[C@H](CCCc12)NC(=O)CCN1CCN(CC1)c1ccccc1OC
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
CNCCc1c[nH]c2ccc(cc12)C(C)(C)C
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN3CC[C@@H](CNCc4ccccc4)C3)c2c1
C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(C[C@H]4COC(=O)N4)cc23)C1)c1ccccc1
O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccccc2)C1
CN(C)CCc1c[nH]c2sccc12
CN(C)CCc1c[nH]c2ccsc12
Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)C2CCC(F)CC2)c2ccccn2)CC1 |(2.32,-7.79,;3.65,-8.56,;3.63,-10.1,;2.31,-10.86,;2.31,-12.41,;3.63,-13.18,;4.99,-12.41,;4.99,-10.87,;6.3,-10.12,;7.65,-10.89,;8.99,-10.12,;8.96,-8.58,;10.31,-7.82,;11.65,-8.58,;12.96,-7.82,;14.31,-8.58,;14.31,-10.13,;15.63,-7.82,;16.96,-8.58,;18.94,-8.27,;19.49,-9.96,;21.03,-9.96,;18.27,-9.22,;16.18,-9.51,;12.96,-6.27,;11.65,-5.51,;11.65,-3.96,;12.96,-3.19,;14.31,-3.96,;14.31,-5.51,;7.65,-7.81,;6.32,-8.58,)|
Fc1ccc(CNCCOc2ccc(Cl)c3[nH]cc(Cl)c23)cc1
Clc1c[nH]c2cccc(OCCNCCCCc3ccccc3)c12
CNCCOc1cccc2NC(=O)Cc12
Clc1ccc(OCCNc2ccc3ccccc3c2)c2CC(=O)Nc12
Clc1ccc(OCCNCc2cccs2)c2CC(=O)Nc12
CN(CCOc1cccc2NC(=O)Cc12)Cc1ccccc1
Fc1ccc(OCCN2Cc3ccccc3C2)c2CC(=O)Nc12
C(COc1cccc2[nH]ccc12)NCc1ccccc1
O=C1Cc2c(N1)cccc2OCCNCc1ccccc1
Fc1ccc(OCCNCc2cccs2)c2CC(=O)Nc12
CN(CCCC(=O)c1ccc(F)cc1)CCOc1cccc2NC(=O)Cc12
NCCOc1ccc(F)c2NC(=O)Cc12
Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
NCCOc1cccc2NC(=O)Cc12
Fc1ccc(OCCN2CCc3ccccc3C2)c2CC(=O)Nc12
Fc1ccc(CNCCOc2ccc(Cl)c3NC(=O)Cc23)cc1
Clc1ccc(OCCNCc2ccccc2)c2CC(=O)Nc12
Clc1ccc(OCCNCc2ccccc2)c2cc[nH]c12
Fc1ccc(OCCNc2ccc3ccccc3c2)c2CC(=O)Nc12
Cc1ccc(CNCCOc2ccc(Cl)c3NC(=O)Cc23)cc1
Fc1ccc(OCCNCc2ccc(cc2)-c2ccccc2)c2CC(=O)Nc12
O=C1Cc2c(N1)ccc1CC[C@H](CNCc3ccccc3)Oc21
Clc1ccc(OCCNCc2ccc(cc2)-c2ccccc2)c2CC(=O)Nc12
FC(F)(F)C(=O)c1c[nH]c2cccc(OCCNCc3ccccc3)c12
Fc1ccc(OCCNCC2CCCCC2)c2CC(=O)Nc12
Clc1ccc(OCCNCc2ccsc2)c2CC(=O)Nc12
Fc1ccc(OCCNCCCc2c[nH]c3ccccc23)c2CC(=O)Nc12
Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Clc1ccc(OCCN2Cc3ccccc3C2)c2CC(=O)Nc12
Clc1ccc(OCCN2CCc3ccccc3CC2)c2CC(=O)Nc12
CN(CCOc1ccc(Cl)c2NC(=O)Cc12)Cc1ccccc1
FC(F)(F)C(=O)c1c[nH]c2c(Cl)ccc(OCCNCc3ccccc3)c12
C(NCc1ccccc1)[C@H]1CCc2ccc3[nH]ccc3c2O1
Fc1ccc(OCCNCc2ccccc2)c2CC(=O)Nc12
Clc1ccc(CNCCOc2ccc(Cl)c3NC(=O)Cc23)cc1
C(CCc1ccccc1)CNCCOc1cccc2[nH]ccc12
Fc1ccc(OCCNCc2ccsc2)c2CC(=O)Nc12
O=C1Cc2c(N1)cccc2OCCNCCCCc1ccccc1
Clc1c[nH]c2c(Cl)ccc(OCCNCc3ccccc3)c12
Fc1ccc(OCCNCc2cccc(c2)-c2ccccc2)c2CC(=O)Nc12
O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
CCOc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
COc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
COc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
O=C1N(CCCCCCN2CCN(CC2)c2ccccn2)c2cccc3cccc1c23
O=C1N(CCCCCCN2CCN(CC2)c2ncccn2)c2cccc3cccc1c23
O=C1N(CCCCCCN2CCN(CC2)c2cccc3cccnc23)c2cccc3cccc1c23
O=S1(=O)N(CCCCCCN2CCN(CC2)c2ccccn2)c2cccc3cccc1c23
COc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
O=C1N(CCCCCCN2CCN(CC2)c2ccccn2)C(=O)c2cccc3cccc1c23
[O-][N+](=O)c1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
COc1ccccc1N1CCN(CCCCCCn2c3cccc4CCCn(c34)c2=O)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
CCOc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
COc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
CCOc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
COc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1ccc(cc1Cl)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Fc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Clc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Clc1ccc(cc1Cl)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Brc1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
FC(F)(F)c1ccc(cc1)N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Fc1ccccc1N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1ccc(cc1)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Clc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
Clc1cccc(N2CCN(CCCCCCN3C(=O)c4cccc5cccc3c45)CC2)c1Cl
Clc1cccc(N2CCN(CCCCCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)c1Cl
FC(F)(F)c1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc2c34)CC1
CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(OC)cc1
CCCN(CCC)C1COc2c(C1)cccc2-c1ccoc1
CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1OC
CCCN(CCC)C1COc2c(O)cccc2C1
CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1
CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccsc1
CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F
CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1
CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccoc1
CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(C)=O
CCCN(CCC)C1COc2c(C1)cccc2-c1ccsc1
CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1OC
CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(OC)cc1
CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(F)(F)F
COc1cccc(OC)c1OCCNC[C@H]1OCCO[C@H]1c1ccccc1 |r|
C(COc1ccccc1)NCC1(COCCO1)c1ccccc1
COc1ccccc1OCCNCC1(COCCO1)c1ccccc1
C(COc1ccccc1)NC[C@H]1OCCO[C@@H]1c1ccccc1 |r|
COc1ccccc1OCCNC[C@H]1OCCO[C@@H]1c1ccccc1 |r|
C(COc1ccccc1)NCC1OCCOC1(c1ccccc1)c1ccccc1
COc1cccc(OC)c1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1 |r|
C(COc1ccccc1)NC[C@H]1OCCO[C@H]1c1ccccc1 |r|
COc1ccccc1N1CCN(CC2COCC(O2)(c2ccccc2)c2ccccc2)CC1
COc1ccccc1OCCNC[C@H]1OCCO[C@H]1c1ccccc1 |r|
COc1cccc(OC)c1OCCNC[C@H]1OCCO[C@@H]1c1ccccc1 |r|
COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1 |r|
COc1cccc(OC)c1OCCNCC1(COCCO1)c1ccccc1
COc1ccccc1OCCNCC1OCCOC1(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(C[C@H]2OCCO[C@@H]2c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(CC2(COCCO2)c2ccccc2)CC1
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
CCn1cncc1-c1c[nH]c2cc(F)c(Cl)cc12
Cn1cncc1-c1c[nH]c2ccc(Br)cc12
CCn1cncc1-c1c[nH]c2ccc(F)cc12
CCn1cncc1-c1c[nH]c2ccc(I)c(F)c12
CCn1cncc1-c1c[nH]c2c(F)cc(I)cc12
CCn1cncc1-c1c[nH]c2ccc(cc12)C(N)=O
CCn1cncc1-c1c[nH]c2ccccc12
CCn1cncc1-c1c[nH]c2ccc(C)cc12
CCn1cncc1-c1c[nH]c2ccc(Br)cc12
CCn1cncc1-c1c[nH]c2ccc(I)cc12
CCn1cncc1-c1c[nH]c2ccc(OC(F)(F)F)cc12
CCn1cncc1-c1c[nH]c2cc(F)ccc12
CCn1cncc1-c1c[nH]c2cccc(F)c12
CCn1cncc1-c1c[nH]c2ccc(F)c(F)c12
Cn1cncc1-c1c[nH]c2ccc(Cl)c(F)c12
Cn1cncc1-c1c[nH]c2ccc(Br)c(F)c12
CCn1cncc1-c1c[nH]c2ccc(Br)c(F)c12
Cn1cncc1-c1c[nH]c2ccc(I)cc12
Cn1cncc1-c1c[nH]c2ccc(C(N)=O)c(F)c12
CCn1cncc1-c1c[nH]c2ccc(C(N)=O)c(F)c12
COc1ccc2[nH]cc(-c3cncn3C)c2c1F
CCn1cncc1-c1c[nH]c2ccc(OC)cc12
CCn1cncc1-c1c[nH]c2ccc(Cl)cc12
CCn1cncc1-c1c[nH]c2ccc(cc12)C(F)(F)F
Cn1cncc1-c1c[nH]c2ccc(F)c(F)c12
CCn1cncc1-c1c[nH]c2ccc(Cl)c(F)c12
CCn1cncc1-c1c[nH]c2ccc(OC)c(F)c12
CCOc1ccc2[nH]cc(-c3cncn3CC)c2c1
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])Cn3cc(COCCCCCCN(CCc4ccc5ccccc5c4)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)nn3 |r|
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@]1([H])COCc3cn(C[C@@]4([H])O[C@]([H])(CCN(CCc5ccc6ccccc6c5)CC[C@@]([H])(O1)[C@@H]2OCCC(C)C)[C@H](OCCC(C)C)[C@@]1([H])OC(C)(C)O[C@@]41[H])nn3 |r|
COc1ccccc1NCC1CCN(CC2COc3ccccc3O2)CC1
C(NCC1COc2ccccc2O1)C1CCN(CC1)c1cccc2CCOc12
COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
COc1cccc(c1)N1CCC(CNCC2COc3ccccc3O2)CC1
CC1Oc2ccccc2OC1CNCC1CCN(CC1)c1ncccn1
COc1ccccc1N1CCC(CNCC2COc3cccc(F)c3O2)CC1
C(CNc1ncccn1)NCC1COc2ccccc2O1
COc1cccc2OCC(CNCC3CCN(CC3)c3ncccn3)Oc12
C(NCC1COc2ccccc2O1)C1CCN(CC1)c1cccc2OCCOc12
CC1(CNCC2CCN(CC2)c2ncccn2)COc2ccccc2O1
COc1cccc2OC(CNCC3CCN(CC3)c3ncccn3)COc12
C(NCC1COc2ccccc2O1)C1CCN(CC1)c1ccccc1
C(Nc1ncccn1)C1CCN(CC2COc3ccccc3O2)CC1
Clc1ccccc1N1CCC(CNCC2COc3ccccc3O2)CC1
COc1ccc(cc1)N1CCC(CNCC2COc3ccccc3O2)CC1
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2[nH]cnc12
CN1CCN(CC1)c1cccc2[nH]cnc12
O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1
Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)C3)c2c1
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)C3)c2c1
O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCCC(C1)c1c[nH]c2ccccc12
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5C)c5ccccn5c4=O)C3)c2c1 |(48.24,-15.82,;47.22,-14.66,;45.71,-14.97,;45.22,-16.44,;43.71,-16.74,;42.7,-15.59,;41.16,-15.58,;40.7,-14.11,;41.95,-13.21,;41.96,-11.68,;43.31,-10.92,;43.32,-9.38,;41.99,-8.59,;40.66,-9.36,;39.33,-8.58,;37.99,-9.34,;36.67,-8.57,;35.33,-9.33,;34,-8.55,;34,-7.01,;35.34,-6.25,;32.67,-6.23,;32.68,-4.7,;31.35,-3.93,;31.35,-2.39,;32.69,-1.62,;34.02,-2.39,;34.02,-3.93,;35.35,-4.71,;31.34,-7,;30.01,-6.22,;28.69,-7,;28.69,-8.54,;30.01,-9.3,;31.34,-8.54,;32.66,-9.31,;32.65,-10.85,;40.64,-10.9,;43.19,-14.13,;44.69,-13.83,)|
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(36.77,-17.02,;35.43,-17.78,;34.1,-17.01,;34.11,-15.47,;32.78,-14.69,;31.44,-15.47,;31.44,-17,;32.76,-17.77,;32.76,-19.31,;31.43,-20.07,;30.1,-19.3,;28.77,-20.07,;28.77,-21.62,;30.1,-22.38,;31.42,-21.62,;32.75,-22.39,;32.74,-23.93,;34.08,-21.63,;35.41,-22.4,;36.75,-21.64,;38.08,-22.42,;39.42,-21.66,;40.75,-22.43,;42.07,-21.67,;43.4,-22.45,;43.39,-23.99,;42.05,-24.75,;40.73,-23.97,;42.04,-26.29,;40.78,-27.18,;41.25,-28.65,;42.78,-28.66,;43.8,-29.82,;45.31,-29.51,;45.8,-28.05,;47.3,-27.74,;44.78,-26.9,;43.28,-27.21,;34.09,-20.09,;35.43,-19.32,)|
Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(OC)cc23)c1=O
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)C3)c2c1 |(24.47,-44.01,;23.45,-42.86,;21.94,-43.17,;21.45,-44.63,;19.94,-44.94,;18.93,-43.79,;17.39,-43.77,;16.93,-42.3,;18.18,-41.41,;18.19,-39.87,;19.54,-39.11,;19.55,-37.57,;18.22,-36.79,;16.89,-37.55,;15.56,-36.78,;14.23,-37.54,;12.9,-36.76,;11.56,-37.52,;10.23,-36.75,;10.24,-35.21,;11.57,-34.44,;8.9,-34.43,;8.91,-32.89,;7.58,-32.12,;7.58,-30.59,;8.92,-29.81,;10.25,-30.59,;10.25,-32.13,;11.58,-32.9,;7.57,-35.2,;6.24,-34.42,;4.92,-35.2,;4.92,-36.74,;6.24,-37.5,;7.57,-36.74,;8.89,-37.51,;8.88,-39.05,;16.87,-39.09,;19.42,-42.33,;20.92,-42.02,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1 |(22.43,-29.85,;21.41,-28.7,;19.9,-29.01,;19.41,-30.47,;17.9,-30.77,;16.89,-29.62,;15.35,-29.61,;14.89,-28.14,;16.15,-27.25,;16.16,-25.71,;17.5,-24.95,;17.51,-23.41,;16.18,-22.62,;14.86,-23.39,;13.53,-22.61,;12.19,-23.38,;10.86,-22.6,;9.52,-23.36,;8.19,-22.58,;8.2,-21.04,;9.54,-20.28,;6.87,-20.26,;6.87,-18.73,;5.54,-17.96,;5.54,-16.42,;6.88,-15.65,;8.22,-16.42,;8.21,-17.96,;9.54,-18.74,;5.54,-21.03,;4.21,-20.25,;2.88,-21.03,;2.88,-22.57,;4.21,-23.33,;5.53,-22.57,;6.85,-23.34,;6.84,-24.88,;14.84,-24.93,;17.38,-28.16,;18.88,-27.86,)|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)C3)c2c1
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(35.43,-3.91,;34.1,-3.14,;34.11,-1.6,;32.78,-.82,;31.44,-1.6,;31.44,-3.13,;32.76,-3.9,;32.76,-5.44,;31.43,-6.21,;30.1,-5.43,;28.77,-6.21,;28.77,-7.75,;30.1,-8.51,;31.42,-7.75,;32.75,-8.52,;32.74,-10.06,;34.08,-7.76,;35.41,-8.54,;36.75,-7.77,;38.08,-8.55,;39.42,-7.79,;40.75,-8.57,;42.07,-7.8,;43.4,-8.58,;43.39,-10.13,;42.05,-10.88,;40.73,-10.11,;42.04,-12.42,;40.78,-13.31,;41.25,-14.78,;42.78,-14.8,;43.8,-15.95,;45.31,-15.65,;45.8,-14.18,;47.3,-13.87,;44.78,-13.03,;43.28,-13.34,;34.09,-6.22,;35.43,-5.46,)|
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1 |(21.5,-27.9,;19.99,-28.21,;19.5,-29.68,;17.99,-29.98,;16.97,-28.83,;15.44,-28.82,;14.98,-27.35,;16.23,-26.45,;16.24,-24.91,;17.58,-24.16,;17.6,-22.62,;16.27,-21.83,;14.94,-22.6,;13.61,-21.82,;12.27,-22.58,;10.94,-21.8,;9.61,-22.57,;8.28,-21.79,;8.28,-20.25,;9.62,-19.49,;6.95,-19.47,;6.96,-17.93,;5.63,-17.17,;5.63,-15.63,;6.97,-14.86,;8.3,-15.63,;8.3,-17.17,;9.63,-17.94,;5.62,-20.24,;4.29,-19.46,;2.96,-20.24,;2.96,-21.78,;4.29,-22.54,;5.62,-21.78,;6.94,-22.55,;6.93,-24.09,;14.92,-24.14,;17.47,-27.37,;18.97,-27.06,)|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(36.19,-18.42,;34.85,-19.19,;33.52,-18.41,;33.53,-16.88,;32.19,-16.1,;30.85,-16.88,;30.85,-18.41,;32.18,-19.18,;32.18,-20.71,;30.85,-21.48,;29.52,-20.71,;28.19,-21.48,;28.19,-23.02,;29.52,-23.79,;30.84,-23.02,;32.16,-23.8,;32.15,-25.34,;33.5,-23.03,;34.83,-23.81,;36.17,-23.05,;37.5,-23.83,;38.84,-23.06,;40.17,-23.84,;41.49,-23.08,;42.82,-23.86,;42.81,-25.4,;41.47,-26.16,;40.15,-25.38,;41.46,-27.7,;40.2,-28.59,;40.66,-30.06,;42.2,-30.07,;43.22,-31.23,;44.73,-30.92,;45.21,-29.46,;44.19,-28.31,;42.69,-28.61,;33.51,-21.49,;34.85,-20.73,)|
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(34.58,-4.89,;33.25,-4.11,;33.25,-2.57,;31.92,-1.8,;30.58,-2.57,;30.58,-4.11,;31.91,-4.88,;31.9,-6.41,;30.57,-7.18,;29.24,-6.4,;27.92,-7.18,;27.92,-8.72,;29.24,-9.48,;30.57,-8.72,;31.89,-9.49,;31.88,-11.03,;33.23,-8.73,;34.56,-9.51,;35.9,-8.75,;37.22,-9.52,;38.56,-8.76,;39.89,-9.54,;41.22,-8.77,;42.55,-9.56,;42.54,-11.1,;41.19,-11.85,;39.87,-11.08,;41.18,-13.39,;39.93,-14.29,;40.39,-15.76,;41.93,-15.77,;42.94,-16.92,;44.45,-16.62,;44.94,-15.15,;43.92,-14.01,;42.42,-14.31,;33.23,-7.19,;34.57,-6.43,)|
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(9.7,-33.63,;8.37,-32.85,;8.37,-31.31,;7.04,-30.54,;5.7,-31.31,;5.7,-32.85,;7.03,-33.61,;7.02,-35.15,;5.69,-35.92,;4.36,-35.14,;3.03,-35.92,;3.03,-37.46,;4.36,-38.22,;5.69,-37.46,;7.01,-38.23,;7,-39.77,;8.35,-37.47,;9.68,-38.25,;11.01,-37.49,;12.34,-38.26,;13.68,-37.5,;15.01,-38.28,;16.34,-37.51,;17.67,-38.3,;17.65,-39.84,;16.31,-40.59,;14.99,-39.82,;16.3,-42.13,;15.05,-43.03,;15.51,-44.5,;17.04,-44.51,;18.06,-45.66,;19.57,-45.36,;20.06,-43.89,;19.04,-42.74,;17.54,-43.05,;8.35,-35.93,;9.69,-35.17,)|
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)C3)c2c1
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5OC)c5ccccn5c4=O)C3)c2c1 |(48.24,-29.68,;47.22,-28.53,;45.71,-28.84,;45.22,-30.31,;43.71,-30.61,;42.7,-29.46,;41.16,-29.45,;40.7,-27.98,;41.95,-27.08,;41.96,-25.54,;43.31,-24.79,;43.32,-23.25,;41.99,-22.46,;40.66,-23.23,;39.33,-22.45,;38,-23.21,;36.67,-22.43,;35.33,-23.2,;34,-22.42,;34,-20.88,;35.34,-20.12,;32.67,-20.1,;32.68,-18.56,;31.35,-17.8,;31.35,-16.26,;32.69,-15.49,;34.02,-16.26,;34.02,-17.8,;35.35,-18.57,;36.69,-17.81,;31.34,-20.87,;30.01,-20.09,;28.69,-20.87,;28.69,-22.41,;30.01,-23.17,;31.34,-22.41,;32.66,-23.18,;32.65,-24.72,;40.64,-24.77,;43.19,-28,;44.69,-27.69,)|
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)C3)c2c1 |(23.53,-42.07,;22.03,-42.37,;21.54,-43.84,;20.03,-44.14,;19.01,-42.99,;17.48,-42.98,;17.01,-41.51,;18.27,-40.62,;18.28,-39.08,;19.62,-38.32,;19.64,-36.78,;18.31,-35.99,;16.98,-36.76,;15.65,-35.98,;14.31,-36.75,;12.98,-35.97,;11.64,-36.73,;10.31,-35.95,;10.32,-34.41,;11.66,-33.65,;8.99,-33.63,;8.99,-32.1,;7.67,-31.33,;7.67,-29.79,;9.01,-29.02,;10.34,-29.79,;10.33,-31.33,;11.66,-32.11,;7.66,-34.4,;6.33,-33.62,;5,-34.4,;5,-35.94,;6.33,-36.7,;7.65,-35.94,;8.98,-36.71,;8.97,-38.25,;16.96,-38.3,;19.51,-41.53,;21.01,-41.23,)|
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
Clc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(10.92,-18.52,;9.59,-17.75,;9.59,-16.21,;8.26,-15.43,;6.92,-16.21,;6.92,-17.74,;8.25,-18.51,;8.24,-20.05,;6.91,-20.81,;5.58,-20.04,;4.25,-20.81,;4.25,-22.35,;5.58,-23.12,;6.91,-22.35,;8.23,-23.13,;8.22,-24.67,;9.57,-22.37,;10.9,-23.14,;12.24,-22.38,;13.56,-23.16,;14.9,-22.4,;16.23,-23.17,;17.56,-22.41,;18.89,-23.19,;18.88,-24.73,;17.53,-25.49,;16.21,-24.71,;17.52,-27.03,;16.27,-27.92,;16.73,-29.39,;18.27,-29.41,;19.28,-30.56,;20.79,-30.25,;21.28,-28.79,;20.26,-27.64,;18.76,-27.95,;9.57,-20.83,;10.91,-20.06,)|
CCCN[C@H]1CCc2c(sc(n2)N)C1
CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1
COc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O |wU:23.25,28.32,(20.35,-4.11,;19.57,-5.43,;20.32,-6.78,;21.86,-6.8,;22.62,-8.15,;21.83,-9.46,;20.29,-9.44,;19.54,-8.09,;18,-8.06,;17.21,-9.35,;15.67,-9.35,;14.9,-8.02,;15.69,-6.68,;17.24,-6.72,;13.36,-8,;12.61,-6.64,;11.05,-6.64,;10.27,-7.97,;11.01,-9.28,;12.55,-9.28,;8.73,-7.93,;7.86,-9.22,;8.38,-10.66,;6.38,-8.79,;5.08,-9.6,;3.72,-8.86,;3.67,-7.32,;4.98,-6.52,;6.33,-7.25,;7.77,-6.72,;8.22,-5.24,)|
O=C1N(C2CCC(CC2)N2CCc3ccccc3C2)C(=O)c2ccccc12 |(6.21,-12.03,;6.11,-13.57,;7.31,-14.57,;8.8,-14.25,;9.29,-12.79,;10.81,-12.47,;11.84,-13.64,;11.35,-15.09,;9.83,-15.42,;13.34,-13.32,;13.83,-11.86,;15.33,-11.53,;16.36,-12.66,;17.87,-12.33,;18.91,-13.48,;18.42,-14.95,;16.92,-15.27,;15.89,-14.14,;14.38,-14.46,;6.72,-16,;7.55,-17.32,;5.18,-15.89,;4.05,-16.94,;2.6,-16.5,;2.22,-15.02,;3.34,-13.95,;4.83,-14.39,)|
O=C1[C@H]2CCCC[C@H]2C(=O)N1C1CCC(CC1)N1CCc2ccccc2C1 |wU:2.1,7.8,(11.82,-15.19,;11.28,-13.74,;9.8,-13.32,;8.52,-14.12,;7.14,-13.39,;7.1,-11.85,;8.42,-11.04,;9.77,-11.78,;11.21,-11.24,;11.66,-9.77,;12.14,-12.46,;13.68,-12.48,;14.44,-13.81,;15.98,-13.84,;16.76,-12.53,;16.03,-11.17,;14.49,-11.17,;18.34,-12.56,;19.11,-11.24,;20.68,-11.28,;21.42,-12.62,;22.93,-12.66,;23.66,-13.99,;22.86,-15.31,;21.35,-15.28,;20.62,-13.93,;19.07,-13.91,)|
COc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccccc2C1=O |(18.26,-.38,;17.46,-1.71,;18.23,-3.06,;19.75,-3.08,;20.5,-4.43,;19.72,-5.74,;18.18,-5.72,;17.42,-4.37,;15.89,-4.34,;15.15,-2.99,;13.58,-2.96,;12.81,-4.3,;13.54,-5.66,;15.1,-5.68,;11.26,-4.28,;10.5,-2.92,;8.96,-2.92,;8.16,-4.24,;8.93,-5.59,;10.47,-5.61,;6.62,-4.21,;5.75,-5.49,;6.26,-6.94,;4.28,-5.07,;2.98,-5.88,;1.61,-5.14,;1.57,-3.6,;2.89,-2.8,;4.24,-3.53,;5.69,-2.99,;6.1,-1.52,)|
O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCc2ccccc2C1
COc1ccccc1N1CCN(CCCCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1
COc1ccccc1N1CCN(CC1)C1CCCC(C1)n1nnc2ccccc12
OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Fc1ccc2[nH]cc(CCCN3CCN(CC3)c3nsc4ccccc34)c2c1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccsc1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cccs1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccoc1
Fc1ccc(C2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1ccccc1
Fc1ccc2[nH]cc(CCN3CCN(CC3)c3nsc4ccccc34)c2c1
Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(c1)-c1cn[nH]c1
Clc1ccc(cn1)C1=CCNCC1 |t:8|
Fc1cccc(c1)-c1cc(F)ccc1OCCN1CCC(CC1)c1c[nH]c2ccc(F)cc12
Fc1ccc(OCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c(c1)-c1ccccc1
COc1cccc(c1)C(=O)CCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc2C(CCCN3CCN(CC3)c3ccc(Cl)cc3)CCCc12
COc1cccc2C(=O)N(CCN3CCN(CC3)c3ccc(Cl)cc3)CCc12
COc1cccc(c1)C(=O)N(C)CCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(NC(=O)CCN2CCN(CC2)c2ccc(Cl)cc2)c1
COc1ccc2CCCC(CCCN3CCN(CC3)c3ccc(Cl)cc3)c2c1
COc1cccc(c1)C(=O)CCCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(c1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
COc1ccc2CCCC(NCCN3CCN(CC3)c3ccc(Cl)cc3)c2c1
COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1cccc(CNCCN2CCN(CC2)c2ccc(Cl)cc2)c1
COc1ccc2CCN(CCN3CCN(CC3)c3ccc(Cl)cc3)C(=O)c2c1
COc1cccc(CCCCN2CCN(CC2)c2ccc(Cl)cc2)c1
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccc(Cl)cc1
COc1ccccc1N(C)C1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
COc1ccccc1N(C1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1)C(=O)C1CCCCC1
CS(=O)(=O)Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
FCCOc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
FC(F)(F)S(=O)(=O)Oc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
FCCCOc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=O)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(N)=N)cc1N1CCN(C)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1OS(C)(=O)=O
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OS(=O)(=O)C(F)(F)F
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)ccc1O
COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1OCCF
CN1CCN(CC1)c1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)ccc1O
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
CCc1cccc(N2CCN(C[C@@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
COc1ccc2[nH]c(c(CCN(C)C)c2c1)-c1ccccc1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C(N)=O)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CCc3c[nH]c4ccccc34)CC2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(cc23)C#N)cc1N1CCN(C)CC1
CN1CCC2(COc3ccc(NC(=O)NCCN4CCC(CC4)c4c[nH]c5cc(F)ccc45)cc23)CC1
CN1CCC2(COc3ccc(NC(=O)N4CCC(CC4)c4c[nH]c5ccc(F)cc45)cc23)CC1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccccc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3cccc(F)c23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(C2)c2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CCCCc3c[nH]c4ccc(F)cc34)CC2)cc1N1CCN(C)CC1
CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCC(CC2)c2c[nH]c3ccc(F)cc23)cc1OCCN(C)C
COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)NCCN2CCC(CC2)c2c[nH]c3cc(F)ccc23)cc1OCCN(C)C
[H][C@@]1(C[C@@]2([H])N(CCc3c2[nH]c2ccccc32)C[C@@H]1CC)[C@@H](CO)C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2ccccc12)C=C)C(=C/OC)\C(=O)OC |r|
[H][C@@]1(O[C@@H]2OC=C(C(=O)OC)[C@@]3([H])C[C@]4([H])N(CCc5c4[nH]c4ccccc54)C[C@H](O)[C@@]23[H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:5|
[H][C@]12C[C@@H]([C@H](CN1CC[C@]1(O)C2=Nc2ccccc12)C=C)C(=C/OC)\C(=O)OC |r,t:13|
[H][C@@]12C[C@@H]([C@H](CN1CC[C@]1(O2)C(=O)Nc2ccccc12)C=C)C(=C/OC)\C(=O)OC |r|
[H][C@@]1(C[C@@]2([H])N(CCc3c2[nH]c2ccccc32)C[C@@H]1C=C)[C@H](CO)C(=O)OC |r|
[H][C@@]1(C[C@]2([H])c3[nH]c4ccccc4c3CC[N@+]2([O-])C[C@@H]1C=C)[C@@H](CO)C(=O)OC |r|
[H][C@@]12C[C@@]([H])([C@H](CN1CC[C@@]21C(=O)Nc2ccccc12)C=C)C(=C/OC)\C(=O)OC |r|
[H][C@]12C[C@@H]([C@H](C[N@@+]1([O-])CCc1c2[nH]c2ccccc12)C=C)C(=C/OC)\C(=O)OC |r|
[H][C@]12CN3CCc4c([nH]c5ccccc45)[C@]3(C[C@]3([H])C(=CO[C@@H](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]13[H])C(=O)OC)O2 |r,c:22|
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r,t:4|
[H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3([H])C[C@@]2([H])[C@H]1C=C |r,t:16|
[H][C@]1(CC)C[N+]2([O-])CCc3c([nH]c4ccccc34)[C@@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(=O)Nc1ccccc31 |r|
[H][C@]1(C[C@]2([H])c3[nH]c4ccccc4c3CC[N@@+]2([O-])C[C@@H]1CC)C(=C/OC)\C(=O)OC |r|
[H][C@@]1(C[C@@]2([H])c3[nH]c4ccccc4c3CC[N@+]2([O-])C\C1=C/C)[C@H](CO)C(=O)OC |r|
[H][C@@]12C[C@H](\C(=C/OC)C(=O)OC)\C(C[N+]1([O-])CCc1c2[nH]c2ccccc12)=C/C |r|
[H][C@@]1(C[C@@]2([H])N(CCc3c2[nH]c2ccccc32)C[C@@H]1CC)[C@H](CO)C(=O)OC |r|
[H][C@@]1(C[C@@]2([H])N(CCc3c2[nH]c2ccccc32)C[C@@H]1C=C)[C@@H](CO)C(=O)OC |r|
[H][C@]12C[C@]([H])(C(=C/OC)\C(=O)OC)\C(CN1CCc1c2[nH]c2ccccc12)=C\C |r|
[H][C@@]1(O[C@@H]2OC=C3C(=O)N4CCc5c([nH]c6ccccc56)[C@@]4([H])C[C@@]3([H])[C@H]2C=C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:5|
[H][C@]1(C[C@@]2([H])N(CCc3c2[nH]c2ccccc32)C[C@@H]1CC)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@]([H])([C@@H](CC)CN1CC[C@@]21C(=O)Nc2ccccc12)C(=C/OC)\C(=O)OC |r|
COc1ccc(SC)cc1C(=O)NC[C@@H]1CCCN1CCc1ccccc1
CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
CSc1cccc(c1)C(=O)NC[C@H]1CCCN1CCc1ccccc1
CSc1cc2CCOc2c(c1)C(=O)NC[C@H]1CCCN1CCc1ccccc1
CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@H]1CCCN1CCc1ccccc1
O=C(NC[C@H]1CCCN1CCc1ccccc1)c1ccccc1
CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
O=C(NC[C@@H]1CCCN1CCc1ccccc1)c1ccccc1
COc1cc2CCOc2c(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@@H]1CCCN1CCc1ccccc1
O=C(NC[C@H]1CCCN1CCc1ccccc1)C1CCCCC1
CSc1cccc(c1)C(=O)NC[C@@H]1CCCN1CCc1ccccc1
C[C@@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3[C@H](O)c4cccc5C[C@@H]1c2c3-c45
CCO[C@@]1(CC)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3c4-c5c(cccc5C[C@@H]1c24)[C@]3(C)O
CO[C@@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3[C@H](N)c4cccc5C[C@@H]1c2c3-c45
CCO[C@]1(CC)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3C(=O)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3[C@@H](O)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3Cc4cccc5C[C@@H]1c2c3-c45
C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3[C@@H](NC(C)=O)c4cccc5C[C@@H]1c2c3-c45
CO[C@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
CN1CCc2ccc3c4-c5c(cccc5C[C@@H]1c24)[C@@]3(C)O
CN1CCc2ccc3[C@H](NC(C)=O)c4cccc5C[C@@H]1c2c3-c45
CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cncc2ccccc12 |t:9|
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:9|
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cccc2ncccc12 |t:9|
O=S(=O)(c1ccc2ncccc2c1)n1cc(C2=CCNCC2)c2ccccc12 |t:18|
Clc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:8|
CCOc1ccccc1N1CCN(CCC(=O)N2CCN(CC2)c2ccccc2)CC1
Clc1cccc(c1)N1CCN(CCC(=O)N2CCN(CC2)c2ccccc2)CC1
O=C(CCNCc1ccccc1)N1CCN(CC1)c1ccccc1
O=C(CCCCN1CCN(CC1)c1ccccc1)N1CCN(CC1)c1ccccc1
Clc1ccc(cc1)N1CCN(CCC(=O)N2CCN(CC2)c2ccccc2)CC1
Clc1cccc(c1)N1CCN(CC1)C(=O)CCN1CCN(CC1)c1ccccc1
Clc1cccc(c1)N1CCN(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)CC1
CCOc1ccccc1N1CCN(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)CC1
O=C(CCNCc1ccccc1)NCc1ccccc1
Clc1ccc(cc1)N1CCN(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)CC1
O=C(CCN1CCN(CC1)c1ccccc1)N1CCN(CC1)c1ccccc1
Clc1cccc(c1)N1CCN(CC1)C(=O)CCN1CCN(Cc2ccccc2)CC1
O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c2=O)s1
Nn1c(SCCCN2CCN(CC2)c2ccccc2[N+]([O-])=O)nc2sccc2c1=O
COc1ccccc1N1CCN(CCCSc2nc3sc4CCCc4c3c(=O)n2N)CC1
Nn1c(SCCCN2CCN(CC2)c2ncccn2)nc2sccc2c1=O
CCOc1ccccc1-c1nnc(SCCCN2CCN(CC2)c2ccccc2OC)s1
CCOc1ccccc1-c1nnc(SCCCN2CCN(CC2)c2ccccc2[N+]([O-])=O)s1
CCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1
CCCc1cc2c(nc(SCCCN3CCN(CC3)c3ccccc3OC)n(N)c2=O)s1
COc1ccccc1N1CCN(CCCSc2nc(N)c3c(C)c(C)sc3n2)CC1
CCc1cc2c(nc(SCCCN3CCN(CC3)c3ncccn3)n(N)c2=O)s1
Cc1sc2nc(SCCCN3CCN(CC3)c3ccccc3[N+]([O-])=O)n(N)c(=O)c2c1C
CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2F)cc1
CC(=O)NCc1ccc(CN2CCN(CC2)c2ccccc2)cc1
COc1ccc(cc1)N1CCN(Cc2ccc(CNC(C)=O)cc2)CC1
Nc1nc(cs1)-c1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
CC(=O)NCc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
CC(=O)NCc1ccc(CCCN2CCN(CC2)c2ccccc2)cc1
CC(=O)NCc1ccc(CCCCN2CCN(CC2)c2ccccc2)cc1
CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1
CC(=O)NCc1ccc(CN2CCN(CC2)c2ccc(F)cc2)cc1
CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCNCC1
CCc1cccc(N2CCNCC2)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCN(C)CC1
CCc1cccc(N2CCN(C)CC2)c1Cl
CCCCN1CCN(CC1)c1cc(CC)cc(Cl)c1OC
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
CCCCN1CCN(CC1)c1cccc(CC)c1Cl
CCc1cc(Cl)c(OC)c(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1
C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
CC(C)NC1COc2cccc(C(N)=O)c2C1
CCCN(C1CCCC1)C1COc2cccc(C(=O)OC)c2C1
CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
CCCNC1COc2cccc(C(N)=O)c2C1
CCCN(C(C)C)C1COc2cccc(C(=O)OC)c2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(C(=O)NC)c2C1
CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
CCCN(C1CCCC1)C1COc2cccc(C(=O)NC)c2C1
CCCN(C(C)C)C1COc2cccc(OC)c2C1
CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1
COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
CCN(CC)CCc1c[nH]c2ccc(OC)cc12
CN(C)CCc1c[nH]c2cc(F)cc(O)c12
COc1ccc2[nH]cc(CCN(C)C)c2c1F
CCN(CC)CCc1c[nH]c2cccc(O)c12
CCN(CC)CCc1c[nH]c2ccccc12
CCN(CC)CCc1c[nH]c2cc(F)ccc12
COc1cc2c(CCN(C)C)c[nH]c2cc1F
CN(C)CCc1c[nH]c2c(F)ccc(O)c12
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
CN1CCc2ccc3[nH]c(=O)c4cccc5C[C@@H]1c2c3c45
CN1CCc2ccc3oc(=O)c4cccc5C[C@@H]1c2c3c45
CN1CCc2ccc3c4c2[C@H]1Cc1cccc(oc3=O)c41
CN1CCc2ccc3c4c2[C@H]1Cc1cccc([nH]c3=O)c41
CN1CCc2ccc3ncc4cccc5C[C@@H]1c2c3c45
CN1CCc2ccc3cnc4cccc5C[C@@H]1c2c3c45
ClC1=COc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1ccccn1 |t:1|
O=C1N(CCCCN2CCN(CC2)c2ncccn2)C=COc2ccccc12 |c:21|
ClC1=COc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |t:1|
CC1=COc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |t:1|
ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(=CC1)c1ccccn1 |c:22,t:1|
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1cccs1 |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccco1 |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1cccn1C |r|
CN(C)C1CCc2c(C1)cccc2C1CCCC1
CN(C)C1CCc2c(C1)cccc2-c1cccc2ccccc12
CN(C)[C@@H]1CCc2c(C1)cccc2-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CN(C)C1CCc2c(C1)cccc2-c1cc(F)cc(F)c1
CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccc(Cl)cc1 |r|
COc1cccc(c1)-c1cccc2CC(CCc12)N(C)C
CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccccc1 |r|
CCCN(CCC)[C@@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
CN(C)[C@@H]1CCc2c(C1)cccc2-c1cccs1 |r|
CN(C)[C@@H]1CCc2c(C1)cccc2-c1ccco1 |r|
CN(C)C1CCc2c(C1)cccc2-c1cncc2ccccc12
CN(C)C1CCc2c(C1)cccc2-c1cc(Cl)cc(Cl)c1
CN(C)C1CCc2c(C1)cccc2-c1ccc(F)cc1Cl
CN(C)C1CCc2c(C1)cccc2-c1cccc(c1)C(F)(F)F
CN(C)C1CCc2c(C1)cccc2-c1cccc(F)c1
CN(C)C1CCc2c(C1)cccc2-c1ccccc1Cl
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1 |r|
Fc1ccccc1-c1cccc2CC(CCc12)N1CCCC1
CCCN(CCC)[C@@H]1CCc2c(C1)cccc2-c1ccccc1 |r|
CCCN(CCC)[C@@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
CN(C)[C@@H]1CCc2c(C1)cccc2-c1cccn1C |r|
CN(C)C1CCc2c(C1)cccc2-c1c2ccccc2cc2ccccc12 |(29.61,-24.6,;28.28,-23.83,;28.28,-22.28,;26.94,-24.6,;26.94,-26.15,;25.6,-26.92,;24.26,-26.15,;24.26,-24.59,;25.6,-23.81,;22.92,-23.82,;21.59,-24.6,;21.59,-26.14,;22.93,-26.91,;22.93,-28.45,;24.26,-29.22,;25.58,-28.45,;26.9,-29.21,;26.91,-30.75,;25.59,-31.51,;24.26,-30.75,;22.93,-31.53,;21.59,-30.76,;20.27,-31.52,;18.94,-30.77,;18.93,-29.23,;20.26,-28.45,;21.59,-29.22,)|
CN(C)[C@H]1CCc2c(C1)cccc2-c1cccc2ccccc12 |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccc(Cl)cc1 |r|
CN(C)C1CCc2c(C1)cccc2-c1ccc(F)cc1
CN(C)C1CCc2c(C1)cccc2-c1cccc(Cl)c1
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r|
CN(C)[C@H]1CCc2c(C1)cccc2-c1ccccc1F |r|
COc1ccc2c(c1F)c(c[nH]2)CCN3CCCC3
CN1CCc2cccc-3c2[C@H]1Cc1cccc(c-31)-c1c(OS(=O)(=O)C(F)(F)F)cccc1OS(=O)(=O)C(F)(F)F |wD:10.11,(14.3,-16.35,;14.3,-14.82,;15.64,-14.08,;15.64,-12.52,;14.33,-11.75,;14.33,-10.22,;12.99,-9.42,;11.65,-10.19,;11.65,-11.75,;12.99,-12.52,;12.99,-14.05,;11.65,-14.82,;10.31,-14.05,;9,-14.82,;7.66,-14.05,;7.66,-12.52,;9,-11.75,;10.31,-12.52,;8.93,-10.06,;7.56,-9.39,;6.32,-10.29,;4.91,-9.62,;5.9,-8.47,;3.67,-10.51,;4.79,-8.08,;6.06,-7.22,;3.41,-7.45,;4.79,-6.55,;7.44,-7.86,;8.71,-7,;10.08,-7.67,;10.21,-9.17,;11.74,-8.69,;11.93,-7.16,;10.69,-6.23,;13.34,-7.73,;13.34,-6.55,;13.53,-5.05,;14.77,-6.3,;11.97,-5.18,)|
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31 |wD:10.11,(21.5,-8.8,;21.5,-7.27,;22.84,-6.51,;22.87,-4.98,;21.53,-4.21,;21.56,-2.65,;20.23,-1.86,;18.86,-2.62,;18.86,-4.18,;20.19,-4.98,;20.19,-6.51,;18.86,-7.27,;17.55,-6.51,;16.21,-7.27,;14.91,-6.51,;14.91,-4.98,;16.21,-4.18,;16.18,-2.49,;14.78,-1.86,;13.54,-2.72,;14.66,-.33,;15.93,.56,;17.3,-.11,;17.42,-1.63,;18.76,-.84,;20.07,-.07,;17.55,-4.95,)|
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2O)c-31 |wD:10.11,(3.15,-8.39,;3.15,-6.86,;4.49,-6.09,;4.51,-4.55,;3.18,-3.79,;3.2,-2.22,;1.86,-1.42,;.49,-2.19,;.49,-3.75,;1.83,-4.55,;1.83,-6.09,;.49,-6.86,;-.83,-6.09,;-2.17,-6.86,;-3.49,-6.09,;-3.49,-4.55,;-2.17,-3.75,;-2.21,-2.06,;-3.61,-1.42,;-4.85,-2.28,;-3.73,.12,;-2.45,1.01,;-1.08,.34,;-.95,-1.19,;.38,-.39,;-.83,-4.52,)|
COc1cccc(OC)c1-c1cccc2C[C@H]3N(C)CCc4cccc(c34)-c12 |wD:16.17,(7.32,-7.03,;8.71,-7.68,;9.98,-6.81,;9.85,-5.28,;11.11,-4.41,;12.5,-5.06,;12.63,-6.59,;14.14,-6.11,;14.33,-4.57,;11.35,-7.46,;11.39,-9.18,;10.07,-9.94,;10.07,-11.48,;11.39,-12.25,;12.73,-11.48,;14.07,-12.25,;15.39,-11.48,;16.72,-12.25,;16.7,-13.78,;18.06,-11.49,;18.06,-9.94,;16.75,-9.18,;16.75,-7.62,;15.41,-6.84,;14.07,-7.61,;14.07,-9.15,;15.41,-9.94,;12.73,-9.94,)|
CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(O)cccc2O)c-31 |wD:10.11,(21.88,-10.26,;21.89,-8.74,;23.23,-7.99,;23.23,-6.44,;21.92,-5.67,;21.92,-4.11,;20.57,-3.33,;19.23,-4.1,;19.23,-5.65,;20.57,-6.44,;20.56,-7.98,;19.23,-8.74,;17.88,-7.98,;16.56,-8.74,;15.22,-7.98,;15.22,-6.44,;16.56,-5.67,;16.51,-3.95,;15.13,-3.3,;13.87,-4.17,;15,-1.76,;16.27,-.9,;17.66,-1.55,;17.79,-3.07,;19.31,-2.59,;17.88,-6.44,)|
O=C1Nc2cccc3CCC[C@@]1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccccn12
Fc1ccc2nn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)n2c1
Fc1cccn2c1nn(CCCCN1CCN(CC1)c1cccc3sccc13)c2=O
Fc1cc(F)c2nn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)n2c1
Clc1ccc2nn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)n2c1
Clc1cccn2c1nn(CCCCN1CCN(CC1)c1cccc3sccc13)c2=O
Clc1cc(Cl)c2nn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)n2c1
Brc1cccn2c1nn(CCCCN1CCN(CC1)c1cccc3sccc13)c2=O
COc1cccc2nn(CCCCN3CCN(CC3)c3cccc4sccc34)c(=O)n12
COc1cccn2c1nn(CCCCN1CCN(CC1)c1cccc3sccc13)c2=O
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2cccc(C#N)n12
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccc(cn12)C#N
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2cc(ccn12)C#N
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2c(cccn12)C#N
O=c1n(CCCCN2CCN(CC2)c2cccc3scnc23)nc2ccccn12
Fc1cc(C2CCN(CCCCn3nc4ccccn4c3=O)CC2)c2cnoc2c1
Fc1cccn2c1nn(CCCCN1CCN(CC1)c1cccc3scnc13)c2=O
Fc1cc2c(cccc2s1)N1CCN(CCCCn2nc3c(F)cccn3c2=O)CC1
COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1
Clc1nsnc1N1CCN(C[C@H](Cc2ccccc2)NC(=O)c2ccncc2)CC1
CN([C@@H](CN1CCN(CC1)c1nsnc1Cl)Cc1ccccc1)C(=O)C1CCCCC1
COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)c2ccccc2)CC1
COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)C2CCCCC2)CC1
Clc1nsnc1N1CCN(C[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)CC1
CN1CCN(CC1)c1nc(C)nc(Cl)c1Sc1ccc(Cl)cc1
CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1
Cc1nc(Cl)c(Sc2ccc(Cl)cc2)c(NC2CCN(Cc3ccccc3)CC2)n1
CN1CCN(CC1)c1nc2ccccc2c(Cl)c1Sc1ccccc1
CNc1nc(Cl)c(Sc2ccccc2)c(n1)N1CCN(C)CC1
COc1ccc(\C=C2\C(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3)c3ccccc23)cc1
Clc1cccc(c1)N1CCN(CCCN2C(=O)\C(=C\c3ccccc3)c3ccccc23)CC1
Clc1cccc(c1)N1CCN(CCCN2C(=O)\C(=C\c3cccnc3)c3ccccc23)CC1
Clc1ccc(\C=C2/C(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3)c3ccccc23)cc1
COc1ccc(\C=C2/C(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3)c3ccccc23)cc1
Clc1cccc(c1)N1CCN(CCCN2C(=O)\C(=C/c3cccs3)c3ccccc23)CC1
Clc1cccc(c1)N1CCN(CCCN2C(=O)\C(=C\c3cccs3)c3ccccc23)CC1
Clc1cccc(c1)N1CCN(CCCN2C(=O)Cc3ccccc23)CC1
Clc1ccc(\C=C2\C(=O)N(CCCN3CCN(CC3)c3cccc(Cl)c3)c3ccccc23)cc1
Clc1cccc(c1)N1CCN(CCCN2C(=O)\C(=C/c3ccccc3)c3ccccc23)CC1
Clc1cccc(c1)N1CCN(CCCN2C(=O)\C(=C/c3cccnc3)c3ccccc23)CC1
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
C(C[N+]1(Cc2ccccc2)CCN(CC1)c1ncccn1)N=C(SCc1ccccc1)C12CC3CC(CC(C3)C1)C2
CSC(=NCC[N+]1(C)CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2
O=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2
S=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2 |TLB:1:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
CCCC(=O)Nc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(-c2c1)c34
COc1cc2CCN(C)C3Cc4ccc(NC(C)=O)cc4-c(c1OCC1CC1)c23
CCCC(=O)Nc1ccc2CC3N(C)CCc4cc(OC)c(OCC5CC5)c(-c2c1)c34
CCCC(=O)Nc1ccc2CC3N(C)CCc4cc(OC)c(OCC=C)c(-c2c1)c34
CCCC(=O)Nc1ccc2CC3N(C)CCc4cc(OC)c(OCC#C)c(-c2c1)c34
COc1cc2CCN(C)C3Cc4ccc(NS(C)(=O)=O)cc4-c(c1OCC1CC1)c23
COc1cc2CCN(C)C3Cc4ccc(NS(C)(=O)=O)cc4-c(c1OCC=C)c23
COc1cc2CCN(C)C3Cc4ccc(NS(C)(=O)=O)cc4-c(c1OCC#C)c23
COc1cc2CCN(C)C3Cc4ccc(NC(N)=O)cc4-c(c1OCC1CC1)c23
COc1cc2CCN(C)C3Cc4ccc(NC(N)=O)cc4-c(c1OCC#C)c23
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1OC)c23)N(C)C
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1OCC1CC1)c23)N(C)C
CCCN1CCc2cccc3-c4cc(N)ccc4CC1c23
CCCN1CCc2cccc3-c4cc(NC(C)=O)ccc4CC1c23
CCCN1CCc2cccc3-c4cc(NC(=O)CCC)ccc4CC1c23
CN1CCc2cccc3-c4cc(NS(C)(=O)=O)ccc4CC1c23
CCCN1CCc2cccc3-c4cc(NS(C)(=O)=O)ccc4CC1c23
CN1CCc2cccc3-c4cc(NC(N)=O)ccc4CC1c23
CCCN1CCc2cccc3-c4cc(NC(N)=O)ccc4CC1c23
CN(C)c1ccc2CC3N(C)CCc4cccc(-c2c1)c34
CCCN1CCc2cccc3-c4cc(ccc4CC1c23)N(C)C
CN1CCc2cccc-3c2C1Cc1ccc2nc(N)sc2c-31
CCCN1CCc2cccc-3c2C1Cc1ccc2nc(N)sc2c-31
CN1CCc2cccc3-c4cc5nc(N)sc5cc4CC1c23
CCCN1CCc2cccc3-c4cc5nc(N)sc5cc4CC1c23
[H][C@@]12Cc3cc(OCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1
COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CC1)c1c(C(C)=O)c(nn(C)c1=O)-c1ccccc1
COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
COc1ccccc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
Clc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(O)c2ccc(cc2)[N+]([O-])=O)CC1
OC(CCN1CCN(CC1)c1ccccc1O)c1csc2ccccc12
COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
Fc1ccc(cc1)N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(N=O)c2ccc(C)s2)CC1
COc1ccccc1N1CCN(CCC(N=O)c2cc(C)sc2C)CC1
Cc1cc(C(=O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
COc1ccccc1N1CCN(CCC(O)c2cccs2)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccc(C)s2)CC1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)-c2ccccc2)CC1
COc1ccc(cc1)N1CCN(CCC(O)c2ccccc2)CC1
COc1cc(Cl)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
OC(CCN1CCN(CC1)c1ccccc1Cl)c1ccsc1
COc1ccccc1N1CCN(CCC(=O)c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCC(=O)c2csc3ccccc23)CC1
Cc1cc(C(=O)CCN2CCN(CC2)c2cccc3ccccc23)c(C)s1
COc1ccc(OC(CCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2)cc1
Clc1ccc(cc1)N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
COc1ccc(OC(CCN2CCN(CC2)c2ccccc2OC)c2ccccc2)cc1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1cccs1
COc1cc(F)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
COc1ccccc1N1CCN(CCC(O)c2ccsc2)CC1
COc1ccccc1N1CCN(CCC(N=O)c2ccccc2)CC1
COc1ccc(cc1)N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
COc1cc(Cl)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Fc1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCC(N=O)c2ccccc2)CC1
COc1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccc(cc2)[N+]([O-])=O)CC1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1csc2ccccc12
COc1ccccc1N1CCN(CCC(O)c2ccc3ccccc3c2)CC1
COc1cc(F)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
OC(CCN1CCN(CC1)c1ccccn1)c1ccccc1
COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2cccs2)CC1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc2ccccc2c1
O=C(CCN1CCN(CC1)c1ncccn1)c1ccccc1
OC(CCN1CCN(CC1)c1ccccc1Cl)c1ccccc1
OC(CCN1CCN(CC1)c1ncccn1)c1ccccc1
COc1ccccc1N1CCN(CCC(O)c2ccc(C)s2)CC1
OC(CCN1CCN(CC1)c1ccccc1O)c1ccc2ccccc2c1
Clc1ccc(cc1)N1CCN(CCC(=O)c2cccs2)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1
Clc1ccc(cc1)N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccccc2)CC1
Oc1ccccc1N1CCN(CCC(=O)c2ccc3ccccc3c2)CC1
OC(CCN1CCN(CC1)c1ccc(F)cc1)c1ccccc1
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ccccn2)c2ccccc2)cc1
COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccccc2)CC1
OC(CCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)c1ccccc1
COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
COc1ccc(cc1)C(O)CCN1CCN(CC1)c1ccccc1OC
Oc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1
Cc1cc(C(O)CCN2CCN(CC2)c2ccccc2O)c(C)s1
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ncccn2)c2ccccc2)cc1
Clc1ccc(cc1)N1CCN(CCC(=O)c2ccccc2)CC1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccsc1
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ccccc2Cl)c2ccccc2)cc1
O=C(CCN1CCN(CC1)c1cccc2ccccc12)c1ccsc1
COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccsc2)CC1
COc1ccc(cc1)C(CCN1CCN(CC1)c1ccccc1OC)Oc1ccc(cc1)C(F)(F)F
COc1ccccc1N1CCN(CCC(O)c2ccc(cc2)-c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCC(=O)c2ccsc2)CC1
COc1ccccc1N1CCN(CCC(=O)c2ccc(s2)[N+]([O-])=O)CC1
Clc1ccccc1N1CCN(CCC(=O)c2ccsc2)CC1
COc1ccccc1N1CCN(CCC(N=O)c2ccsc2)CC1
COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(F)(F)F)c2ccc(cc2)-c2ccccc2)CC1
COc1cc(Cl)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
OC(CCN1CCN(CC1)c1ccc(Cl)cc1)c1ccccc1
COc1ccccc1N1CCN(CCC(N=O)c2csc3ccccc23)CC1
COc1ccc(cc1)C(=O)CCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCC(Oc2cccc3ccccc23)c2ccsc2)CC1
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2)cc1
O=C(CCN1CCN(CC1)c1ccccn1)c1ccccc1
COc1ccccc1N1CCN(CCC(O)c2cc(C)sc2C)CC1
COc1ccccc1N1CCN(CCC(=O)c2cccs2)CC1
COc1ccccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
COc1ccccc1N1CCN(CCC(Oc2ccc3OCOc3c2)c2ccsc2)CC1
COc1ccccc1N1CCN(CCC(O)c2ccccc2)CC1
COc1cc2CCN(C)C3Cc4ccc(N)cc4-c(c1OCC#C)c23
COc1cc2CCN(C)C3Cc4ccc(N)cc4-c(c1OC)c23
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1OCC#C)c23)[N+]([O-])=O
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1OCC=C)c23)[N+]([O-])=O
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1OC1CC1)c23)[N+]([O-])=O
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1OC)c23)[N+]([O-])=O
COc1cc2CCN(C)C3Cc4ccc(cc4-c(c1O)c23)[N+]([O-])=O
CCCC(=O)Nc1ccc2CC3N(C)CCc4cccc(-c2c1)c34
CN1CCc2cccc3-c4cc(NC(C)=O)ccc4CC1c23
CN1CCc2cccc3-c4cc(N)ccc4CC1c23
CN1CCc2cccc3-c4cc(ccc4CC1c23)[N+]([O-])=O
[O-][N+](=O)c1ccc2CC3NCCc4cccc(-c2c1)c34
Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Oc1ccc2[nH]cc([C@H]3C[C@@H]4CC[C@H](C3)N4C[C@H]3CC[C@H](CC3)NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |wU:10.16,8.7,20.25,17.18,13.15,THB:16:15:8.14.9:11.12,(1.43,-5.64,;2.76,-6.41,;2.76,-7.94,;4.09,-8.72,;5.49,-7.93,;6.98,-8.35,;7.82,-7.06,;6.89,-5.85,;7.28,-4.38,;6.21,-3.29,;6.63,-1.8,;7.03,-3.29,;8.1,-3.61,;9.19,-2.54,;8.77,-4.01,;8.12,-1.42,;7.05,-.12,;7.66,1.49,;6.75,2.73,;7.35,4.13,;8.89,4.31,;9.82,3.08,;9.19,1.66,;9.5,5.75,;10.97,6.18,;11.33,7.68,;12.09,5.13,;13.55,5.54,;14.67,4.49,;14.01,3.1,;14.88,1.83,;16.42,1.95,;17.28,.67,;17.1,3.35,;18.64,3.44,;16.24,4.61,;5.44,-6.39,;4.09,-5.62,)|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3nsc4ccccc34)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3ccccc3Cl)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3ccc(Cl)cc3)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)C(=O)[C@]21[H] |r|
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCCCN3CCN(CC3)c3ccccc3OC)C(=O)[C@]21[H] |r|
O=c1n(CCCCCCN2CCN(CC2)c2nsc3ccccc23)nc2ccccn12
O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)c1nsc2ccccc12
C(CCCN1CCN(CC1)c1nsc2ccccc12)CCSc1nc2ccccc2o1
O=C1CCc2cc(OCCCCCCN3CCN(CC3)c3nsc4ccccc34)ccc2N1
O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)c2cccc3cccc1c23
O=S1(=O)N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)c2cccc3cccc1c23
O=C1N(CCCCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2cccc3cccc1c23
O=c1n(CCCCCCN2CCN(CC2)c2nsc3ccccc23)c2cccc3CCCn1c23
FC(F)(F)c1cccc(c1)N(CCCCCCN1CCN(CC1)c1nsc2ccccc12)S(=O)(=O)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)N(CCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
O=c1[nH]c2ccccc2n1CCCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
O=S(=O)(NCCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
O=S(=O)(NCCCCCCN1CCN(CC1)c1nsc2ccccc12)c1cccc2ccccc12
O=S(=O)(NCCCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccc2ccccc2c1
Oc1ccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)cc1-c1ccccc1
Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)n1
O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccs4)CC3)c2o1
Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1
O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccsc4)CC3)c2o1
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Cn1c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2oc1=O
Fc1ccc(cc1)-c1ccnc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
Cc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
C(N1CCN(CC1)c1cccc2OCOc12)c1cccc(c1)-c1ccccc1
O=c1[nH]c2cccc(N3CCN(Cc4cncc(c4)-c4ccccc4)CC3)c2o1
O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4cccc(c4)C#N)CC3)c2o1
O=C1COc2c(N1)cccc2N1CCN(Cc2cccc(c2)-c2ccccc2)CC1
Clc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
C(N1CCN(CC1)c1cccc2NCCCc12)c1cccc(c1)-c1ccccc1
Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
C(N1CCN(CC1)c1cccc2ccoc12)c1cccc(c1)-c1ccccc1
Fc1ccc(cc1CN1CCN(CC1)c1cccc2[nH]c(=O)oc12)-c1ccccc1
Fc1ccc(cc1)-c1cc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)ccn1
COc1cccc(c1)-c1cccc(CN2CCN(CC2)c2cccc3[nH]c(=O)oc23)c1
C(N1CCN(CC1)c1cccc2OCCOc12)c1cccc(c1)-c1ccccc1
C(N1CCN(CC1)c1cccc2NCCOc12)c1cccc(c1)-c1ccccc1
O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4C#N)CC3)c2o1
CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
CN(C)CCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O
O=C1N(CCCN2CCOCC2)c2ccccc2\C=C/c2ccccc12 |c:20|
CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16|
CN(C)CCc1cccc2n(c(cc12)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
CN(C)[C@H]1Cc2cn(c3cccc([C@@H]1O)c23)S(=O)(=O)c1ccc(C)cc1
CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
CN(C)CCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
NCCc1cccc2n(ccc12)S(=O)(=O)c1ccccc1
CN(C)CCc1cn(C(=O)c2ccccc2)c2ccc(O)cc12
Fc1cccc(OCCNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c1
FC1(CNCCOc2cccc(Cl)c2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cccc3NCCc23)CC1
COc1cccc2c(CCCNCCOc3ccccn3)cccc12
COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccc1OC |t:9|
COc1cccc(CCCCN2CCN(CC2)c2ccccn2)c1
COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccc1 |t:9|
COc1cccc2C(CCCNCCOc3ccccn3)CCCc12
COc1cccc2c(CCCN3CCN(CC3)c3ccccn3)cccc12
COc1cccc2\C(CCCc12)=C\CCNCCOc1ccccn1
COc1cccc(CCCCNCCOc2ccccn2)c1
COc1ccc2CC(CNCCOc3ccccn3)CCc2c1
COc1ccc2CCC(CCN3CCN(CC3)c3ccccn3)Cc2c1
COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1cccc2ccccc12 |t:9|
COc1cccc(c1)C1=CCC(CC1)N1CCN(CC1)c1ccccn1 |t:9|
COc1ccc2CC(CN3CCN(CC3)c3ccccn3)CCc2c1
CCCN(CCC)C1Cc2cccc(O)c2C1
CCCN(CCC)C1Cc2cccc(OC)c2C1
CCCN(CCC)C1Cc2ccc(O)cc2C1
CN(C)CC\C=C\c1cccnc1
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)N2CCCC2)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,1.0,(48.42,-47.98,;48.08,-49.48,;46.56,-49.83,;45.89,-51.23,;44.36,-51.23,;43.58,-52.56,;42.04,-52.56,;41.28,-51.23,;39.74,-51.23,;38.97,-52.56,;39.74,-53.9,;41.27,-53.9,;37.43,-52.56,;36.66,-53.9,;37.42,-55.23,;35.12,-53.9,;34.2,-52.65,;32.74,-53.13,;32.74,-54.67,;34.2,-55.15,;46.56,-52.63,;48.07,-52.97,;49.29,-52,;50.62,-52.77,;51.96,-52,;51.95,-50.44,;53.28,-49.67,;50.62,-49.68,;49.29,-50.45,)|
CCN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(Cl)cc3[C@@H](C)C2)CC1 |r,wU:7.6,wD:10.10,23.24,(32.92,-39.33,;34.46,-39.33,;35.23,-38,;34.46,-36.67,;36.77,-38,;37.54,-39.33,;37.54,-36.67,;39.08,-36.67,;39.85,-35.33,;41.39,-35.33,;42.16,-36.67,;43.7,-36.67,;44.47,-35.33,;46.01,-35.33,;46.67,-36.73,;48.18,-37.07,;49.4,-36.1,;50.73,-36.87,;52.07,-36.1,;52.07,-34.55,;53.4,-33.77,;50.73,-33.79,;49.4,-34.56,;48.19,-33.59,;48.53,-32.09,;46.68,-33.93,;41.39,-38,;39.85,-38,)|
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)N(C)C)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,1.0,(18.24,-31.84,;17.89,-33.34,;16.38,-33.68,;15.71,-35.08,;14.17,-35.08,;13.4,-36.42,;11.86,-36.42,;11.09,-35.08,;9.55,-35.08,;8.78,-36.42,;9.55,-37.75,;11.09,-37.75,;7.24,-36.42,;6.47,-37.75,;7.24,-39.08,;4.93,-37.75,;4.16,-36.42,;4.16,-39.08,;16.38,-36.48,;17.89,-36.82,;19.1,-35.85,;20.44,-36.62,;21.78,-35.85,;21.77,-34.3,;23.1,-33.52,;20.44,-33.54,;19.11,-34.31,)|
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)N2C(=O)CC3(CCCC3)CC2=O)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,1.0,(78.22,-16.9,;77.88,-18.4,;76.36,-18.74,;75.69,-20.14,;74.15,-20.14,;73.38,-21.48,;71.84,-21.48,;71.07,-20.14,;69.53,-20.14,;68.76,-21.48,;69.53,-22.81,;71.07,-22.81,;67.22,-21.48,;66.46,-22.81,;67.23,-24.15,;64.91,-22.81,;64.15,-21.47,;63.25,-20.22,;61.79,-20.69,;61.78,-22.23,;63.24,-22.71,;64.92,-20.14,;66.46,-20.14,;67.23,-18.81,;76.36,-21.54,;77.87,-21.88,;79.09,-20.91,;80.42,-21.68,;81.76,-20.91,;81.75,-19.36,;83.08,-18.58,;80.42,-18.6,;79.09,-19.37,)|
[H][C@]12C[C@]([H])(C=C1)[C@]1([H])C(=O)N([C@H]3CC[C@H](CCN4CCc5ccc(Cl)cc5[C@@H](C)C4)CC3)C(=O)[C@]21[H] |r,wU:12.12,3.3,1.0,35.41,7.8,wD:15.16,28.30,c:5,(34.02,-24.69,;34.03,-23.15,;33.26,-21.65,;34.04,-20.05,;34.03,-18.51,;32.7,-20.82,;32.69,-22.37,;35.37,-20.83,;35.36,-19.29,;36.83,-20.36,;37.31,-18.9,;37.73,-21.61,;39.27,-21.61,;40.03,-20.28,;41.57,-20.28,;42.35,-21.61,;43.88,-21.61,;44.65,-20.28,;46.19,-20.28,;46.86,-21.67,;48.37,-22.01,;49.58,-21.05,;50.91,-21.81,;52.25,-21.05,;52.24,-19.5,;53.57,-18.72,;50.91,-18.73,;49.59,-19.51,;48.37,-18.53,;48.71,-17.03,;46.86,-18.88,;41.57,-22.95,;40.03,-22.95,;36.83,-22.86,;37.3,-24.32,;35.36,-22.38,;35.35,-23.93,)|
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)N2C(=O)CCC2=O)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,1.0,(16.19,-17.03,;15.85,-18.53,;14.33,-18.87,;13.67,-20.28,;12.13,-20.28,;11.36,-21.61,;9.82,-21.61,;9.05,-20.28,;7.51,-20.28,;6.74,-21.61,;7.51,-22.94,;9.05,-22.94,;5.2,-21.61,;4.29,-22.84,;4.76,-24.31,;2.83,-22.37,;2.82,-20.82,;4.29,-20.35,;4.77,-18.89,;14.33,-21.67,;15.84,-22.01,;17.06,-21.04,;18.39,-21.81,;19.73,-21.04,;19.72,-19.49,;21.06,-18.72,;18.39,-18.73,;17.06,-19.5,)|
[H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N([C@H]3CC[C@H](CCN4CCc5ccc(Cl)cc5[C@@H](C)C4)CC3)C(=O)[C@@]21[H] |r,wU:12.12,1.0,4.4,7.8,35.41,wD:15.16,28.30,(63.69,-3.63,;63.7,-5.18,;62.36,-5.95,;62.35,-7.49,;63.69,-8.27,;63.68,-9.82,;62.92,-6.78,;65.02,-7.51,;65.01,-9.05,;66.48,-7.99,;66.96,-9.45,;67.39,-6.74,;68.93,-6.74,;69.69,-5.4,;71.23,-5.41,;72.01,-6.74,;73.54,-6.74,;74.31,-5.41,;75.85,-5.41,;76.52,-6.8,;78.03,-7.14,;79.24,-6.18,;80.57,-6.94,;81.91,-6.17,;81.9,-4.63,;83.23,-3.85,;80.57,-3.86,;79.25,-4.63,;78.03,-3.66,;78.37,-2.16,;76.52,-4.01,;71.23,-8.08,;69.69,-8.08,;66.48,-5.49,;66.97,-4.03,;65.03,-5.96,;65.02,-4.41,)|
[H][C@@]12CCCC[C@]1([H])C(=O)N([C@H]1CC[C@H](CCN3CCc4ccc(Cl)cc4[C@@H](C)C3)CC1)C2=O |r,wU:11.11,wD:14.15,27.29,1.0,6.7,(5.01,-4.77,;5.03,-6.31,;3.69,-5.55,;2.35,-6.32,;2.36,-7.87,;3.7,-8.64,;5.03,-7.86,;5.02,-9.4,;6.5,-8.34,;6.97,-9.8,;7.4,-7.1,;8.94,-7.1,;9.71,-5.77,;11.25,-5.77,;12.02,-7.1,;13.56,-7.1,;14.33,-5.77,;15.87,-5.77,;16.53,-7.16,;18.04,-7.5,;19.26,-6.53,;20.59,-7.3,;21.93,-6.53,;21.92,-4.98,;23.25,-4.21,;20.59,-4.22,;19.26,-4.99,;18.05,-4.02,;18.39,-2.52,;16.53,-4.37,;11.25,-8.43,;9.71,-8.43,;6.5,-5.85,;6.98,-4.38,)|
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)[C@@H]2CCCN2)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,15.15,1.0,(77.28,-47.9,;76.94,-49.41,;75.43,-49.75,;74.76,-51.15,;73.22,-51.15,;72.45,-52.49,;70.91,-52.49,;70.14,-51.15,;68.6,-51.15,;67.83,-52.49,;68.6,-53.82,;70.14,-53.82,;66.29,-52.49,;65.52,-53.82,;66.29,-55.15,;63.98,-53.82,;63.07,-55.07,;61.6,-54.59,;61.6,-53.05,;63.07,-52.58,;75.43,-52.55,;76.94,-52.89,;78.15,-51.92,;79.49,-52.69,;80.82,-51.92,;80.82,-50.37,;82.15,-49.59,;79.48,-49.6,;78.16,-50.38,)|
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)[C@@H]2CCCO2)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,15.15,1.0,(48.38,-48.01,;48.04,-49.51,;46.53,-49.86,;45.86,-51.26,;44.32,-51.26,;43.55,-52.59,;42.01,-52.59,;41.24,-51.26,;39.7,-51.26,;38.93,-52.59,;39.7,-53.93,;41.24,-53.93,;37.39,-52.59,;36.62,-53.93,;37.39,-55.26,;35.08,-53.93,;34.17,-55.18,;32.7,-54.7,;32.7,-53.16,;34.17,-52.69,;46.52,-52.66,;48.03,-53,;49.25,-52.03,;50.58,-52.8,;51.92,-52.03,;51.92,-50.48,;53.25,-49.7,;50.58,-49.71,;49.25,-50.48,)|
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)C2CC2)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,1.0,(76.35,-32.33,;76,-33.84,;74.49,-34.18,;73.82,-35.58,;72.28,-35.58,;71.51,-36.92,;69.97,-36.92,;69.2,-35.58,;67.66,-35.58,;66.89,-36.92,;67.66,-38.25,;69.2,-38.25,;65.35,-36.92,;64.58,-38.25,;65.35,-39.58,;63.04,-38.25,;61.7,-37.49,;61.7,-39.03,;74.49,-36.98,;76,-37.32,;77.21,-36.35,;78.55,-37.12,;79.88,-36.35,;79.88,-34.8,;81.21,-34.02,;78.54,-34.03,;77.22,-34.81,)|
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,1.0,(19.71,-32.34,;19.37,-33.84,;17.85,-34.19,;17.18,-35.59,;15.64,-35.59,;14.87,-36.92,;13.33,-36.92,;12.56,-35.59,;11.02,-35.59,;10.25,-36.92,;11.02,-38.26,;12.56,-38.26,;8.71,-36.92,;7.94,-38.26,;8.71,-39.59,;6.4,-38.26,;5.49,-37.02,;4.03,-37.49,;4.03,-39.03,;5.49,-39.51,;17.85,-36.99,;19.36,-37.33,;20.57,-36.36,;21.91,-37.13,;23.25,-36.36,;23.24,-34.81,;24.57,-34.03,;21.91,-34.04,;20.58,-34.81,)|
COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2OCCOc12 |c:5|
C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12 |c:5|
C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12 |c:5|
C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2ncccc12 |c:5|
C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:5|
Fc1ccc2c(c[nH]c2c1)C1CCN(CCOc2cccc3OCCOc23)CC1
C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2ncccc12 |c:5|
Fc1ccc2[nH]cc(C3=CCN(CCOc4cccc5OCCOc45)CC3)c2c1 |t:8|
Fc1ccc2c(c[nH]c2c1)C1=CCN(CCOc2cccc3OCCOc23)CC1 |t:12|
Fc1ccc2[nH]cc(CC3CCN(CCOc4cccc5OCCOc45)CC3)c2c1
O=C(N(CCCN1CCN(CC1)c1ccccn1)C1COC1)c1ccccc1
O=C(N(CCCN1CCN(CC1)c1ccccn1)CC1CC1)c1ccccc1
CC(C)N(CCCN1CCN(CC1)c1ccccn1)C(=O)c1ccccc1
CCCN(CCCN1CCN(CC1)c1ccccn1)C(=O)c1ccccc1
Clc1cccc(N2CCN(CCCN(C3COC3)C(=O)c3ccccc3)CC2)c1Cl
Clc1cccc(N2CCN(CCCN(CC3CC3)C(=O)c3ccccc3)CC2)c1Cl
CC(C)N(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1ccccc1
CCCN(CCCN1CCN(CC1)c1cccc(Cl)c1Cl)C(=O)c1ccccc1
Fc1ccc2[nH]cc(CCCN3CCN(CC(=O)N(C4CCCCC4)c4ccccc4)CC3)c2c1
Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O
Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Cn1c2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Cn1c2ccc(CCCCN3CCC(CC3)c3ccccc3)cc2sc1=O
Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
C[C@H]1CN(CCc2ccc3n(C)c(=O)sc3c2)C[C@@H](C)N1
C[C@H]1CN(CCCCc2ccc3n(C)c(=O)sc3c2)C[C@@H](C)N1
Cn1c2ccc(CCCCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
Fc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cn2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
Cc1ccc(nc1)N1CCN(CCCCc2ccc(F)cc2)CC1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(cn2)-c2ccccc2)cc1
Fc1ccc(CCCCN2CCN(CC2)c2cccc(n2)-c2ccccc2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccccn1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cn1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Fc1ccc2CC(CCN3CCCN(CC3)c3ccccn3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cn3)Cc2c1
Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Fc1ccc(CCCCN2C3CCC2CN(C3)c2ccc(Cl)cn2)cc1 |TLB:8:9:15.16.14:11.12,THB:17:15:9:11.12|
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(C2)c1ccc(Cl)cn1 |TLB:11:12:18.19.17:14.15,THB:20:18:12:14.15|
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccnc1
Fc1ccc(CCCCN2CCN(CC2)c2cccnc2)cc1
COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCSc2ccccc2)CC1
FC1(CNCCOc2ccccc2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccncc2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2cncnc2)CC1
Fc1ccc(cc1Cl)C(=O)N1CCC(F)(CNCCOc2ccnnc2)CC1
O=C1COc2ccccc2N1CCCCN1CCN(CC1)c1cccc2sccc12
Fc1ccc2c(c1)N(CCCCN1CCN(CC1)c1cccc3sccc13)C(=O)CNC2=O
COc1ccc2ncc(=O)n(CCCCN3CCN(CC3)c3cccc4sccc34)c2c1
CN1CC(=O)N(CCCCN2CCN(CC2)c2cccc3sccc23)c2ccccc2C1=O
O=c1[nH]c(=O)c2ccccc2n1CCCCN1CCN(CC1)c1cccc2sccc12
Oc1ccc2CCS(=O)(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)c2c1
Nc1ccc2CCS(=O)(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)c2c1
CN1CCc2ccc(OCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc2C1=O
CC1CCc2ccc(OCCCCN3CCC(CC3)c3nsc4ccccc34)cc2C1=O
CN1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(CC3)C(=O)c3ccc(F)cc3F)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(CC3)c3nsc4ccccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(Cc4ccc5OCOc5c4)CC3)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc2C1=O
CN1CCc2ccc(OCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2ccc(OCC(F)CN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Cn1ccc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2c1=O
CN1CCc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2C1=O
CCCN(CCC)[C@H]1CCc2nn3ccccc3c2C1
CN(CC#C)Cc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
Clc1ccccc1N1CCN(CCCCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Clc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2ccnc2)CC1
COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
COc1ccccc1N1CCN(CCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Clc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
Clc1ccccc1N1CCN(CCCCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Clc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
COc1ccccc1N1CCN(CCCCCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
COc1ccccc1N1CCN(CCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Clc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Clc1ccccc1N1CCN(CCCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
COc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2ccnc2)CC1
COc1ccccc1N1CCN(CCCCCCCn2nc(ccc2=O)-n2ccnc2)CC1
COc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2ccnc2)CC1
Clc1ccccc1N1CCN(CCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Clc1ccccc1N1CCN(CCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1ccc2ccccc2n1)c1csc2ccccc12
OC(CCN1CCN(CC1)c1ccc2ncccc2c1)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2[nH]ccc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1ccnc2ccccc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2OCOc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2ncccc12)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
OC(CCN1CCN(CC1)c1ccc2sccc2c1)c1csc2ccccc12
OC(CCN1CCN(CC1)c1cnc2ccccc2c1)c1csc2ccccc12
OC(CCN1CCN(CC1)C1Nc2ccccc2C=C1)c1csc2ccccc12 |c:20|
OC(CCN1CCN(CC1)c1cccc2ccccc12)c1csc2ccccc12
Cc1ccc(CN(CC(O)COc2cccc3[nH]ccc23)C(C)(C)C)cc1
CN1CCN=C1Cc1cccnc1 |c:4|
O=C(NC1CC2CCC(C1)N2Cc1ccncc1)c1ccc2ccccc2c1 |TLB:11:10:3.4.9:6.7|
O=C(NC1CC2CCC(C1)N2Cc1cccnc1)c1ccc2ccccc2c1 |TLB:11:10:3.4.9:6.7|
O=C(NC1CC2CCC(C1)N2Cc1ccccn1)c1ccc2ccccc2c1 |TLB:11:10:3.4.9:6.7|
FC(F)(F)c1ccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)cc1 |TLB:8:9:15.16.14:11.12|
FC(F)(F)c1cccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)c1 |TLB:9:10:16.17.15:12.13|
FC(F)(F)c1ccccc1CN1C2CCC1CC(C2)NC(=O)c1ccc2ccccc2c1 |TLB:10:11:17.18.16:13.14|
Fc1ccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)cc1 |TLB:5:6:12.13.11:8.9|
Fc1cccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)c1 |TLB:6:7:13.14.12:9.10|
Fc1ccccc1CN1C2CCC1CC(C2)NC(=O)c1ccc2ccccc2c1 |TLB:7:8:14.15.13:10.11|
Brc1ccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)cc1 |TLB:5:6:12.13.11:8.9|
Brc1cccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)c1 |TLB:6:7:13.14.12:9.10|
Brc1ccccc1CN1C2CCC1CC(C2)NC(=O)c1ccc2ccccc2c1 |TLB:7:8:14.15.13:10.11|
Clc1ccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)cc1 |TLB:5:6:12.13.11:8.9|
Clc1cccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)c1 |TLB:6:7:13.14.12:9.10|
Clc1ccccc1CN1C2CCC1CC(C2)NC(=O)c1ccc2ccccc2c1 |TLB:7:8:14.15.13:10.11|
COc1ccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)cc1 |TLB:6:7:13.14.12:9.10|
COc1cccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)c1 |TLB:7:8:14.15.13:10.11|
COc1ccccc1CN1C2CCC1CC(C2)NC(=O)c1ccc2ccccc2c1 |TLB:8:9:15.16.14:11.12|
Cc1ccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)cc1 |TLB:5:6:12.13.11:8.9|
Cc1cccc(CN2C3CCC2CC(C3)NC(=O)c2ccc3ccccc3c2)c1 |TLB:6:7:13.14.12:9.10|
Cc1ccccc1CN1C2CCC1CC(C2)NC(=O)c1ccc2ccccc2c1 |TLB:7:8:14.15.13:10.11|
COc1cc(nc2ccccc12)C(=O)NC1CC2CCC(C1)N2Cc1ccccc1 |TLB:23:22:15.16.21:18.19|
O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccc2ccccc2n1 |TLB:11:10:3.4.9:6.7|
CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl
CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OCC)c(=O)c1Cl
CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC)c(=O)c1Cl
Cc1cc(C)c(C)c(OCCN[C@@H]2CCCC[C@H]2O)c1 |r|
Cc1cc(C)c(OCCCN2CCCC(O)C2)c(C)c1
Cc1cc(C)c(OCCCN[C@@H]2CCCC[C@H]2O)c(C)c1 |r|
C[C@H](CO)NCCOCCOc1ccc(C)cc1C |r|
Cc1cc(C)c(C)c(OCCOCCN[C@H]2CCCC[C@@H]2O)c1
OC1(CCC(CC1)N1CCN(Cc2ccccc2F)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;16.08,-3.02,;16.83,-1.68,;11.46,-3.02,;9.92,-3.02,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
OC1(CCC(CC1)N1CCN(Cc2ccccc2)CC1)c1ccccc1 |(5.23,1.3,;4.83,-.19,;5.88,-1.03,;7.64,-.99,;7.91,-2.53,;6.93,-1.73,;5.09,-1.73,;9.45,-2.53,;10.2,-1.2,;11.74,-1.2,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;14.05,-5.19,;14.82,-6.52,;16.36,-6.52,;17.13,-5.18,;16.36,-3.86,;11.74,-3.86,;10.22,-3.86,;3.29,-.17,;2.5,-1.5,;.98,-1.5,;.21,-.16,;.99,1.17,;2.53,1.16,)|
COc1ccccc1C1(O)CCC(CC1)N1CCN(Cc2ccccc2)CC1 |(2.55,3.83,;3.31,2.49,;2.53,1.16,;.99,1.17,;.21,-.16,;.98,-1.5,;2.5,-1.5,;3.29,-.17,;4.83,-.19,;5.23,1.3,;5.09,-1.73,;6.93,-1.73,;7.91,-2.53,;7.64,-.99,;5.88,-1.03,;9.45,-2.53,;10.22,-3.86,;11.74,-3.86,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;16.36,-3.86,;17.13,-5.18,;16.36,-6.52,;14.82,-6.52,;14.05,-5.19,;11.74,-1.2,;10.2,-1.2,)|
OC1(CCC(CC1)N1CCN(Cc2c(F)cccc2F)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;5.58,-.17,;7.35,-.15,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;16.08,-3.02,;17.16,-1.92,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;12.23,-4.35,;11.46,-.36,;9.92,-.36,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
OC1(CCC(CC1)N1CCN(Cc2ccccc2)CC1)c1ccc2OCOc2c1 |(5.23,1.3,;4.83,-.19,;5.88,-1.03,;7.64,-.99,;7.91,-2.53,;6.93,-1.73,;5.09,-1.73,;9.45,-2.53,;10.2,-1.2,;11.74,-1.2,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;14.05,-5.19,;14.82,-6.52,;16.36,-6.52,;17.13,-5.18,;16.36,-3.86,;11.74,-3.86,;10.22,-3.86,;3.29,-.17,;2.5,-1.5,;.98,-1.5,;.21,-.16,;-1.31,.18,;-1.45,1.72,;-.02,2.33,;.99,1.17,;2.53,1.16,)|
OC1(CCC(CC1)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 |(5.23,1.3,;4.83,-.19,;5.88,-1.03,;7.64,-.99,;7.91,-2.53,;6.93,-1.73,;5.09,-1.73,;9.45,-2.53,;10.2,-1.2,;11.74,-1.2,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;14.05,-5.19,;14.82,-6.52,;16.36,-6.52,;17.13,-5.18,;16.36,-3.86,;11.74,-3.86,;10.22,-3.86,;3.29,-.17,;2.5,-1.5,;.98,-1.5,;.21,-.16,;-1.33,-.15,;.99,1.17,;2.53,1.16,)|
OC1(CCC(CC1)N1CCN(Cc2ccc(F)cc2F)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.83,-7.01,;16.85,-4.34,;16.08,-3.02,;17.16,-1.92,;11.46,-.36,;9.92,-.36,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
COc1ccc(F)c(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(14.54,-8.34,;13.77,-7.01,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;16.08,-3.02,;17.16,-1.92,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-.36,;9.92,-.36,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;4.53,.65,;4.93,2.14,;4.79,-.89,;6.63,-.89,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;13.77,-4.35,)|
OC1(CCC(CC1)N1CCN(Cc2ccc(F)c(F)c2)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.83,-7.01,;16.85,-4.34,;18.39,-4.34,;16.08,-3.02,;11.46,-.36,;9.92,-.36,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
COc1ccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)cc1 |(18.37,-7.01,;16.83,-7.01,;16.08,-5.68,;16.85,-4.34,;16.08,-3.02,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-.36,;9.92,-.36,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;4.53,.65,;4.93,2.14,;4.79,-.89,;6.63,-.89,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;13.77,-4.35,;14.54,-5.68,)|
COc1ccc(cc1OC)C1(O)CCC(CC1)N1CCN(Cc2ccccc2)CC1 |(-2.12,-1.48,;-1.33,-.15,;.21,-.16,;.98,-1.5,;2.5,-1.5,;3.29,-.17,;2.53,1.16,;.99,1.17,;.24,2.51,;-1.3,2.54,;4.83,-.19,;5.23,1.3,;5.09,-1.73,;6.93,-1.73,;7.91,-2.53,;7.64,-.99,;5.88,-1.03,;9.45,-2.53,;10.22,-3.86,;11.74,-3.86,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;16.36,-3.86,;17.13,-5.18,;16.36,-6.52,;14.82,-6.52,;14.05,-5.19,;11.74,-1.2,;10.2,-1.2,)|
OC1(CCC(CC1)N1CCN(Cc2ccc(F)cc2)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;5.58,-.17,;7.35,-.15,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.83,-7.01,;16.85,-4.34,;16.08,-3.02,;11.46,-3.02,;9.92,-3.02,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
COc1cccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(19.14,-2.99,;18.39,-4.34,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-3.02,;9.92,-3.02,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;4.53,.65,;4.93,2.14,;5.58,-.17,;7.35,-.15,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;16.08,-3.02,)|
CCOc1cccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1 |(20.68,-2.99,;19.14,-2.99,;18.39,-4.34,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-3.02,;9.92,-3.02,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;4.53,.65,;4.93,2.14,;5.58,-.17,;7.35,-.15,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;16.08,-3.02,)|
COc1cccc(c1)C1(O)CCC(CC1)N1CCN(Cc2ccccc2)CC1 |(-1.3,2.54,;.24,2.51,;.99,1.17,;.21,-.16,;.98,-1.5,;2.5,-1.5,;3.29,-.17,;2.53,1.16,;4.83,-.19,;5.23,1.3,;5.09,-1.73,;6.93,-1.73,;7.91,-2.53,;7.64,-.99,;5.88,-1.03,;9.45,-2.53,;10.22,-3.86,;11.74,-3.86,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;16.36,-3.86,;17.13,-5.18,;16.36,-6.52,;14.82,-6.52,;14.05,-5.19,;11.74,-1.2,;10.2,-1.2,)|
OC1(CCC(CC1)N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;5.58,-.17,;7.35,-.15,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.83,-7.01,;16.85,-4.34,;16.08,-3.02,;11.46,-3.02,;9.92,-3.02,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
OC1(CCC(CC1)N1CCN(Cc2ccccc2Br)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;16.08,-3.02,;16.83,-1.68,;11.46,-3.02,;9.92,-3.02,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
OC1(CCC(CC1)N1CCN(Cc2ccccc2Cl)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;16.08,-3.02,;16.83,-1.68,;11.46,-3.02,;9.92,-3.02,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
OC1(CCC(CC1)N1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;16.08,-3.02,;16.85,-4.34,;18.39,-4.34,;16.08,-5.68,;14.54,-5.68,;13.75,-7.01,;13.77,-4.35,;11.46,-3.02,;9.92,-3.02,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
COc1cccc(CN2CCN(CC2)C2CCC(O)(CC2)c2ccc3OCOc3c2)c1F |(19.14,-2.99,;18.39,-4.34,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-3.02,;9.92,-3.02,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;4.53,.65,;4.93,2.14,;4.79,-.89,;6.63,-.89,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,;16.08,-3.02,;17.16,-1.92,)|
OC1(CCC(CC1)N1CCN(Cc2ccccc2I)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;16.08,-3.02,;16.83,-1.68,;11.46,-3.02,;9.92,-3.02,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
OC1(CCC(CC1)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;18.39,-4.34,;16.08,-3.02,;11.46,-.36,;9.92,-.36,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
COc1ccc(cc1)C1(O)CCC(CC1)N1CCN(Cc2ccccc2)CC1 |(-2.12,-1.48,;-1.33,-.15,;.21,-.16,;.98,-1.5,;2.5,-1.5,;3.29,-.17,;2.53,1.16,;.99,1.17,;4.83,-.19,;5.23,1.3,;5.88,-1.03,;7.64,-.99,;7.91,-2.53,;6.93,-1.73,;5.09,-1.73,;9.45,-2.53,;10.2,-1.2,;11.74,-1.2,;12.51,-2.53,;14.05,-2.53,;14.82,-3.86,;16.36,-3.86,;17.13,-5.18,;16.36,-6.52,;14.82,-6.52,;14.05,-5.19,;11.74,-3.86,;10.22,-3.86,)|
OC1(CCC(CC1)N1CCN(Cc2cccc(Br)c2)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;18.39,-4.34,;16.08,-3.02,;11.46,-.36,;9.92,-.36,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
COc1ccccc1CN1CCN(CC1)C1CCC(O)(CC1)c1ccc2OCOc2c1 |(16.06,-.35,;16.83,-1.68,;16.08,-3.02,;16.85,-4.34,;16.08,-5.68,;14.54,-5.68,;13.77,-4.35,;14.54,-3.02,;13.77,-1.69,;12.23,-1.69,;11.46,-.36,;9.92,-.36,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;4.53,.65,;4.93,2.14,;5.58,-.17,;7.35,-.15,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
OC1(CCC(CC1)N1CCN(Cc2cccc(F)c2F)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;5.58,-.17,;7.35,-.15,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;18.39,-4.34,;16.08,-3.02,;16.83,-1.68,;11.46,-.36,;9.92,-.36,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
OC1(CCC(CC1)N1CCN(Cc2cccc(F)c2)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;4.79,-.89,;6.63,-.89,;7.61,-1.69,;7.35,-.15,;5.58,-.17,;9.15,-1.69,;9.92,-3.02,;11.46,-3.02,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;16.08,-5.68,;16.85,-4.34,;18.39,-4.34,;16.08,-3.02,;11.46,-.36,;9.92,-.36,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
OC1(CCC(CC1)N1CCN(Cc2cc(F)ccc2F)CC1)c1ccc2OCOc2c1 |(4.93,2.14,;4.53,.65,;5.58,-.17,;7.35,-.15,;7.61,-1.69,;6.63,-.89,;4.79,-.89,;9.15,-1.69,;9.92,-.36,;11.46,-.36,;12.23,-1.69,;13.77,-1.69,;14.54,-3.02,;13.77,-4.35,;14.54,-5.68,;13.75,-7.01,;16.08,-5.68,;16.85,-4.34,;16.08,-3.02,;16.83,-1.68,;11.46,-3.02,;9.92,-3.02,;2.99,.65,;2.22,-.66,;.68,-.66,;-.07,.69,;-1.58,1.02,;-1.73,2.54,;-.32,3.17,;.71,2.01,;2.24,2,)|
CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
COc1ccccc1N1CCN(CCCOc2ccc(NC(C)=O)cc2)CC1
CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
CC(=O)Nc1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2nsc3ccccc23)cc1
CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2cccc3ccsc23)cc1
CCC(=O)Nc1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(NC(=O)c3ccccc3)cc2)CC1
CC(=O)Nc1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1F
CC(=O)Nc1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1C
CC(=O)NCc1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
CN(C(C)=O)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
CC(=O)Nc1ccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
CC(=O)Nc1ccc(OCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
CC(=O)Nc1cccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
CC(=O)Nc1ccc(OCC(O)CN2CCC(CC2)c2noc3cc(F)ccc23)cc1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)C1CCCCC1
COc1ccccc1N1CCN(CCCCC(=O)c2ccc(O)cc2)CC1
Oc1ccccc1C(=O)CCCN1CCN(CC1)c1noc2ccccc12
COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2O)CC1
COc1ccccc1N1CCN(CCCCC(=O)c2ccccc2)CC1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
COc1ccccc1N1CCN(CCCCCC(=O)c2ccc(O)cc2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)c2cccc(O)c2)CC1
COc1ccc2onc(N3CCN(CCCCCC(=O)c4ccccc4O)CC3)c2c1
COc1cccc(c1)C(=O)CCCN1CCN(CC1)c1ccccc1OC
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1nc2ccccc2o1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12
Oc1ccccc1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12
COc1cccc(c1)C(=O)CCCCCN1CCN(CC1)c1ccccc1OC
CN1CCN(CCCCCC(=O)c2ccccc2O)CC1
COc1ccccc1N1CCN(CCCCC(=O)c2cccc(O)c2)CC1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1ccccn1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1nc2ccccc2[nH]1
Oc1ccccc1C(=O)CCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)c2ccccc2O)CC1
COc1cccc(c1)C(=O)CCCCN1CCN(CC1)c1ccccc1OC
Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOCc12
O=C1CN(CN2CCN(CC2)c2cccc3OCCOCc23)C(=O)C2CCCN12
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2OCCOc12
Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2[nH]cnc12
Oc1c2CCCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
Oc1c2CCCn2c(=O)n1CN1CCN(CC1)c1cccc2ccccc12
O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
CN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
CN1CCN(CC1)c1ccc2ccn(c2c1)S(=O)(=O)c1ccccc1
Clc1cccc(c1)S(=O)(=O)n1cnc2c(nccc12)N1CCNCC1
CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
CCc1nc2c(nccc2n1S(=O)(=O)c1cccc(F)c1)N1CCNCC1
CC(C)c1nc2c(nccc2n1S(=O)(=O)c1cccc(Cl)c1)N1CCNCC1
Clc1cccc(c1)S(=O)(=O)n1c(nc2c(nccc12)N1CCNCC1)-c1ccccc1
COc1cccc2cc(sc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(F)cccc2s1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(O)cc2s1
COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
CC(C)Oc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(Cl)ccc2s1
Cc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(Cl)cc2s1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cccc(O)c2s1
Cc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
COc1ccc2c(C)c(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2cc(F)ccc2s1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(C)cc4s3)cccc2[nH]1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4cc(F)ccc4s3)cccc2[nH]1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cc(C)cc4s3)cccc2[nH]1
COc1ccc2sc(cc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Cc1c(sc2ccc(F)cc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Cc1c(sc2ccccc12)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccc(F)cc2s1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(C)cccc4s3)cccc2[nH]1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4c(F)cccc4s3)cccc2[nH]1
COc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
CC(C)Oc1ccc2cc(sc2c1)C1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1
Cc1cc2c(OC[C@@H](O)CN3CCC(CC3)c3cc4ccc(F)cc4s3)cccc2[nH]1
COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)CC1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1
O[C@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2c(Cl)cccc2s1
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2cnccn2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)c(F)c2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)cc2F)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2cc(Cl)c3oc(=O)cc(C)c3c2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(C[C@@H](O)COc2ccc3OC(C)C(=O)Nc3c2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2cnccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(Cl)c(F)c2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(Cl)cc2F)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccccc2C#N)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc(cc2)-c2cn3ccccc3n2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2Cl)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCOc2ccc3OC(C)C(=O)Nc3c2)CC1
COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2cnccn2)CC1 |r|
COc1ccc(cc1)-c1ccccc1C1CCN(C[C@@H](O)COc2ccc(cc2)-c2cn3ccccc3n2)CC1 |r|
COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2cnccn2)CC1
COc1ccc(cc1)-c1ccccc1C1CCN(CCCCOc2ccc(cc2)-c2cn3ccccc3n2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCC(C)(C)CCOc2cnccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CC(C)(C)CCCOc2cnccn2)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CC#CCOc2ccc(Cl)c(F)c2)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2cccc(c2)C(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(cc2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2cc(ccc2O)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2cccc(c2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(cc2)C(C)C)CC1
CCC(C)c1ccc(NC(=O)CCCN2CCN(CC2)c2ccccc2OC)cc1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccccc2O)CC1
COc1ccccc1N1CCN(CCCC(=O)Nc2ccccc2C(N)=O)CC1
COc1ccccc1N1CCN(CCCC(=O)NCc2ccccc2O)CC1
COc1ccccc1CNC(=O)CCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCC(=O)Nc2cc(ccc2O)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(c2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(c2)C(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2ccc(cc2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2ccc(cc2)C(C)C)CC1
CCC(C)c1ccc(NC(=O)CCCCN2CCN(CC2)c2ccccc2OC)cc1
COc1ccccc1N1CCN(CCCCC(=O)Nc2cccc(c2)C(=O)OC(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2ccccc2O)CC1
COc1ccccc1N1CCN(CCCCC(=O)Nc2ccccc2C(N)=O)CC1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2O)CC1
COc1ccccc1CNC(=O)CCCCN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccc(cc2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2cc(ccc2O)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2cccc(c2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2cccc(c2)C(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(cc2)C(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(cc2)C(C)C)CC1
CCC(C)c1ccc(NC(=O)CCCCCN2CCN(CC2)c2ccccc2OC)cc1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccc(cc2)C(=O)OC(C)(C)C)CC1
COc1ccccc1N1CCN(CCCCCC(=O)Nc2ccccc2O)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2O)CC1
COc1ccccc1CNC(=O)CCCCCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCc12)NC(=O)CCCN1CCN(CC1)c1ccccc1OC
O=S(=O)(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1c[nH]c2ncccc12
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
C[C@@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccccc2s1
COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
C[C@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12 |THB:19:18:11.17.12:14.15|
C[C@@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(F)ccc2s1
COc1ccc2sc(cc2c1OC)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(Cl)cc2s1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@H](C)C1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]ccc23)[C@@H](C)C1
O[C@H](COc1cccc2[nH]ccc12)CN1[C@H]2CC[C@@H]1C[C@H](C2)c1cc2ccccc2s1 |THB:13:14:20.19.21:16.17|
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2ccc(F)cc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cc(Cl)ccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2cccc(F)c2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cc(C)cc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(cccc2s1)C(F)(F)F
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(F)cccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]ccc12)c1cc2c(C)cccc2s1
CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)nc12
CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)C#N)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCCC3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccco3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccoc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCCCC3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccsc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccn3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)nc12
CN1CCC(CC1)c1c[nH]c2cnc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3F)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)nc12
CN1CCC(CC1)c1c[nH]c2cnc(NC(=O)c3ccc(F)cc3)nc12
COc1ccccc1C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
COc1cccc(c1)C(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3[N+]([O-])=O)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(C)cc3)nc12
CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)cc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CCC3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(F)c3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3C)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccncc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccccc3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(C)=O)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(c3)C#N)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(Cl)cc3Cl)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccs3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)C3CC3)nc12
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3cccc(C)c3)nc12
COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
COc1ccc2OC[C@H]3CC[C@@H](CN)c1c23
COc1ccc2OC[C@@H]3CC[C@@H](CN)c1c23
COc1cc(Br)c2OC[C@@H]3CC[C@@H](CN)c1c23
COc1ccc2occ3CC[C@@H](CN)c1c23
COc1cc(Br)c2OC[C@H]3CC[C@@H](CN)c1c23
COc1cc(Br)c2OC[C@H]3C[C@@H](N)Cc1c23
COc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC3)C(=O)c3ccco3)c2=O)CC1
CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1
CCOc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC3)C(=O)c3ccco3)c2=O)CC1
CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC3)C(=O)c3ccco3)c2=O)CC1
CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC4COc5ccccc5O4)CC3)c2=O)CC1
COc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC4COc5ccccc5O4)CC3)c2=O)CC1
COc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1
CCOc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC4COc5ccccc5O4)CC3)c2=O)CC1
CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1
Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C#N)-c1ccccc1
Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-]
COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C(N)=O)-c1ccccc1
Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCCCO[N+]([O-])=O)-c1ccccc1
COc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:22:23:29.30:27.26,(10.09,-2.78,;10.85,-4.13,;10.08,-5.44,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;7.78,-4.1,;7.6,-2.78,;8.49,-1.29,;7.3,-.31,;6.53,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.59,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.47,;-2.65,4.91,;-2.35,6.52,;-2.07,5.35,;2.61,1.79,;4.08,2.28,;7.5,-1.54,;6.6,-3.12,)|
CCCCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:25:26:32.33:30.29,(14.62,-7.89,;14.22,-6.39,;12.73,-6,;12.34,-4.52,;10.85,-4.13,;10.08,-5.44,;10.82,-6.78,;10.04,-8.12,;8.51,-8.09,;7.75,-6.76,;8.54,-5.44,;7.78,-4.1,;7.6,-2.78,;8.49,-1.29,;7.3,-.31,;6.53,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.59,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.47,;-2.65,4.91,;-2.35,6.52,;-2.07,5.35,;2.61,1.79,;4.08,2.28,;7.5,-1.54,;6.6,-3.12,)|
FC(F)(F)c1cccc(c1)N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |TLB:24:25:31.32:29.28,(13.78,-6.79,;12.36,-6.79,;13.38,-8.04,;13.39,-5.55,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;10.08,-5.44,;7.79,-4.1,;6.6,-3.12,;7.51,-1.54,;7.3,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-2.07,5.35,;-2.35,6.52,;-2.65,4.91,;-4.21,4.48,;-4.22,3.07,;2.61,1.79,;4.08,2.28,;8.49,-1.29,;7.6,-2.78,)|
O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3ccc4OCOc4c3)[nH]c12 |TLB:2:3:9.10:7.6,(2.94,4.77,;1.62,4,;.28,4.75,;-1.06,3.98,;-.97,2.56,;-2.25,3.39,;-1.72,5.24,;-2,6.4,;-2.3,4.79,;-3.86,4.36,;-3.87,2.95,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.88,.91,;7.65,-.43,;7.85,-1.65,;6.95,-3.24,;8.13,-4.22,;7.95,-2.9,;8.84,-1.41,;8.89,-5.55,;8.1,-6.88,;8.86,-8.21,;10.4,-8.23,;11.43,-9.38,;12.83,-8.76,;12.69,-7.23,;11.17,-6.9,;10.43,-5.55,;4.43,2.16,;2.96,1.68,)|
CC(C)Oc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |TLB:24:25:31.32:29.28,(12.75,-6,;12.35,-4.53,;13.42,-3.43,;10.86,-4.13,;10.09,-5.44,;10.83,-6.79,;10.06,-8.13,;8.52,-8.1,;7.75,-6.77,;8.55,-5.44,;7.79,-4.11,;6.6,-3.13,;7.51,-1.54,;7.31,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.8,;1.27,2.57,;1.27,4.12,;2.6,4.89,;-.07,4.88,;-1.42,4.1,;-1.32,2.68,;-2.61,3.52,;-2.07,5.36,;-2.35,6.52,;-2.65,4.91,;-4.21,4.48,;-4.22,3.07,;2.61,1.8,;4.08,2.28,;8.5,-1.29,;7.61,-2.78,)|
O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3ccccc3)[nH]c12 |TLB:2:3:9.10:7.6,(2.66,3.49,;1.33,2.71,;-.02,3.48,;-1.35,2.7,;-1.26,1.28,;-2.54,2.12,;-2,3.96,;-2.29,5.13,;-2.59,3.52,;-4.15,3.08,;-4.17,1.67,;1.34,1.17,;.01,.4,;.01,-1.15,;1.34,-1.92,;2.67,-1.15,;4.14,-1.63,;5.06,-.37,;6.6,-.37,;7.37,-1.71,;7.57,-2.94,;6.66,-4.53,;7.85,-5.51,;7.66,-4.18,;8.56,-2.69,;8.61,-6.84,;10.15,-6.84,;10.9,-8.17,;10.11,-9.53,;8.57,-9.5,;7.82,-8.17,;4.14,.88,;2.67,.4,)|
Clc1cccc(c1)N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:21:22:28.29:26.25,(12.36,-6.78,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;10.08,-5.44,;7.79,-4.1,;7.6,-2.78,;8.49,-1.29,;7.3,-.31,;6.53,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.48,;-2.65,4.91,;-2.35,6.52,;-2.07,5.35,;2.61,1.79,;4.08,2.28,;7.51,-1.54,;6.6,-3.12,)|
O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3cccc4nc[nH]c34)[nH]c12 |THB:2:3:9.10:7.6,(2.94,4.77,;1.62,4,;.28,4.76,;-1.06,3.98,;-.97,2.56,;-2.25,3.4,;-3.87,2.95,;-3.86,4.36,;-2.3,4.79,;-2,6.4,;-1.72,5.24,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.88,.91,;7.65,-.43,;8.84,-1.41,;7.95,-2.9,;8.13,-4.22,;6.95,-3.24,;7.86,-1.65,;8.89,-5.56,;8.1,-6.88,;8.86,-8.21,;10.4,-8.23,;11.17,-6.9,;12.69,-6.6,;12.87,-5.08,;11.48,-4.44,;10.43,-5.56,;4.43,2.16,;2.96,1.68,)|
CCCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:24:25:31.32:29.28,(10.11,-.12,;10.88,-1.45,;10.1,-2.78,;10.85,-4.13,;10.08,-5.44,;10.83,-6.79,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;7.79,-4.1,;7.6,-2.78,;8.5,-1.29,;7.31,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.8,;1.27,2.57,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.1,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.48,;-2.65,4.91,;-2.35,6.52,;-2.07,5.36,;2.61,1.8,;4.08,2.28,;7.51,-1.54,;6.6,-3.13,)|
CCOc1ccccc1N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |THB:23:24:30.31:28.27,(8.56,-2.78,;10.1,-2.78,;10.85,-4.13,;10.08,-5.44,;10.83,-6.79,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;7.79,-4.1,;7.6,-2.78,;8.5,-1.29,;7.31,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.8,;1.27,2.57,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.1,;-1.32,2.67,;-2.6,3.51,;-4.22,3.07,;-4.21,4.48,;-2.65,4.91,;-2.35,6.52,;-2.07,5.36,;2.61,1.8,;4.08,2.28,;7.51,-1.54,;6.6,-3.12,)|
O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3cccc4ccccc34)[nH]c12 |THB:2:3:7.6:9.10,(2.95,4.78,;1.62,4.01,;.28,4.76,;-1.07,3.98,;-.97,2.56,;-2.26,3.4,;-3.87,2.96,;-3.87,4.36,;-2.3,4.8,;-2,6.41,;-1.72,5.24,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.89,.91,;7.66,-.43,;7.86,-1.66,;6.95,-3.24,;8.14,-4.22,;7.96,-2.9,;8.85,-1.41,;8.9,-5.56,;8.1,-6.88,;8.87,-8.22,;10.41,-8.24,;11.18,-6.91,;12.72,-6.91,;13.49,-5.6,;12.74,-4.25,;11.21,-4.25,;10.44,-5.56,;4.43,2.16,;2.96,1.68,)|
CC(=O)Nc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
CC(=O)Nc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
Nc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Nc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
O=C(CCCN1CCN(CC1)c1ccccn1)c1ccc2NC(=O)CCc2c1
O=C1CCc2cc(CCCCN3CCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCCN(CC3)c3ccccn3)ccc2N1
O=C1CCc2cc(OCCCN3CCN(CC3)c3ccccn3)ccc12
O=C(CCCN1CCN(CC1)c1ccccn1)c1ccc2CCCc2c1
Fc1ccc2C(=O)C(CCN3CCN(CC3)c3ccccn3)Cc2c1
OC1C(CCN2CCN(CC2)c2ccccn2)Cc2cc(F)ccc12
Clc1ccc2C(=O)C(CCN3CCN(CC3)c3ccccn3)Cc2c1
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)Cc2c1
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Clc1cc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2cc1Cl
Clc1ccc2C(=O)C(CCCN3CCN(CC3)c3ccccn3)Cc2c1
Clc1ccc2C(=O)C(CCCCN3CCN(CC3)c3ccccn3)Cc2c1
CC1(CCCN2CCN(CC2)c2ccccn2)Cc2cc(Cl)ccc2C1=O
CC1(CCCCN2CCN(CC2)c2ccccn2)Cc2cc(Cl)ccc2C1=O
COc1cccc2sc(cc12)C1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)C(C)(C)C1
C[C@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccccc2s1
COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(cc12)C(N)=O |THB:19:18:11.17.12:14.15|
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2ccc(F)cc2s1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
COc1cccc2sc(cc12)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(C)cc12 |THB:19:18:11.17.12:14.15|
C[C@@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@H](C)C1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3oc(C)cc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(Cl)ccc2s1
COc1cc(OC)c2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cccc2s1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@@H](C)C1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(cc23)C(N)=O)[C@H](C)C1
COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]c(C)cc12 |THB:19:18:11.12.17:15.14|
COc1ccc2cc(sc2c1)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cc(F)ccc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
COc1cccc2sc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(C)cc(C)cc2s1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2c(F)cccc2s1
C[C@@H]1C[C@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cc2cccc(F)c2s1
COc1cccc2sc(cc12)[C@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@H](C)C1
Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2c(F)cccc2F)CC1 |(23.65,-6.56,;22.14,-6.23,;21.11,-7.37,;19.61,-7.04,;19.15,-5.58,;17.75,-4.96,;17.92,-3.43,;19.42,-3.11,;20.19,-4.45,;21.68,-4.77,;16.42,-5.72,;16.4,-7.26,;15.07,-8.02,;13.74,-7.24,;12.4,-8.01,;11.07,-7.23,;9.73,-8,;8.4,-7.22,;7.06,-7.99,;5.73,-7.21,;4.4,-7.99,;4.4,-9.53,;3.07,-10.3,;5.73,-10.29,;7.06,-9.53,;5.73,-11.83,;7.06,-12.6,;8.4,-11.82,;7.07,-14.14,;5.73,-14.91,;4.4,-14.14,;4.4,-12.6,;3.06,-11.83,;13.74,-5.71,;15.08,-4.94,)|
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCCC3)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCCC3)cc2Cl)CC1
Cc1cc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1CN1CCCC1
COc1cc(CN2CCCC2)ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCCCC3)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCN3CCCCC3)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCCCC3)cc2F)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCCCC3)c(F)c2)CC1
COc1cc(CN2CCCCC2)ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCOCC3)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc(CN3CCOCC3)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCOCC3)cc2F)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCOCC3)c(F)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCOCC3)cc2Cl)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CN3CCOCC3)c(Cl)c2)CC1
Cc1cc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1CN1CCOCC1
COc1cc(CN2CCOCC2)ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12
CC1CCN(CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
CC1CCN(CCc2ccc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
CN1CCN(Cc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
CN1CCN(Cc2ccc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
CN1CCN(CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCN3CCOCC3)cc2)CC1
Cc1sc(C)c-2c1CCCc1c[nH]nc-21
FC(F)(F)c1cccc(c1)N1CCN(CCN2C(=O)c3ccccc3S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN2C(=O)c3ccccc3S2(=O)=O)CC1
O=C1N(CCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
COc1cccc(c1)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
COc1cccc(c1)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
COc1cccc(c1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
COc1cccc(c1)N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
COc1cccc(c1)N1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1
O=C1N(CCCCCCN2CCN(CC2)c2ccccc2)C(=O)c2ccccc12
COc1cccc(c1)N1CCN(CCCn2c(=O)oc3ccccc3c2=O)CC1
COc1cccc(c1)N1CCN(CCCCn2c(=O)oc3ccccc3c2=O)CC1
COc1cccc(c1)N1CCN(CCCCCn2c(=O)oc3ccccc3c2=O)CC1
COc1cccc(c1)N1CCN(CCCCCCn2c(=O)oc3ccccc3c2=O)CC1
O=c1oc2ccccc2c(=O)n1CCCN1CCN(CC1)c1ccccc1
O=c1oc2ccccc2c(=O)n1CCCCN1CCN(CC1)c1ccccc1
COc1cccc(c1)N1CCN(CCOc2ccccc2C(N)=O)CC1
COc1cccc(c1)N1CCN(CCCOc2ccccc2C(N)=O)CC1
COc1cccc(c1)N1CCN(CCCCOc2ccccc2C(N)=O)CC1
COc1cccc(c1)N1CCN(CCCCCOc2ccccc2C(N)=O)CC1
COc1cccc(c1)N1CCN(CCCCCCOc2ccccc2C(N)=O)CC1
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1ccccc1
Clc1cccc(N2CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1Cl
O=C1N(CCCCCN2CCN(CC2)c2ccccc2)S(=O)(=O)c2ccccc12
COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Clc1cccc(N2CCN(CCCCCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1Cl
Clc1ccc(cc1)N1CCN(CCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
O=C1N(CCCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
O=C1N(CCCCCN2CCN(CC2)c2ccccn2)S(=O)(=O)c2ccccc12
O=C1N(CCCCCN2CCN(CC2)c2cccc3ccccc23)S(=O)(=O)c2ccccc12
COc1ccccc1N1CCN(Cc2ccc(CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1
CC1=NCCc2c1[nH]c1ccccc21 |t:1|
COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1ccc2c3CCNCc3[nH]c2c1
COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14|
COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14|
CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:11:12:18.20.17:14.15|
COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14|
CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:11:12:18.20.17:14.15|
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12 |c:17|
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17|
COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:10:11:17.16.19:14.13|
COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:10:11:17.19.16:14.13|
CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:11:12:18.17.20:14.15|
COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3OC)Oc12 |THB:10:11:17.19.16:14.13|
CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:11:12:18.17.20:15.14|
CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:11:12:18.20.17:15.14|
Cc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
COc1ccccc1-c1n[nH]cc1N1CCCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
C1CNCCN(C1)c1c[nH]nc1-c1ccccc1
COc1ccccc1-c1n[nH]cc1N1CCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
C1CN(CCN1)c1c[nH]nc1-c1ccccc1
Clc1ccccc1-c1n[nH]cc1N1CCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Fc1ccccc1-c1n[nH]cc1N1CCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
CN(C)CCSc1nc(cs1)C(C)(C)C
CN(C)CCSC(C)(C)C
CN(C)CCSc1cccc(n1)C1CCCCC1
CN(C)CCSc1nc(cs1)-c1ccccc1
CN(C)CCSc1cccc(Br)n1
CN(C)CCSc1cccc(n1)C1(O)CCCCC1
CN(C)CCSc1nc2ccccc2s1
CN(C)CCSc1ccnc(c1)-c1ccccc1
CN(C)CCSc1nc(cs1)-c1ccncc1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\F)-c1cccc(-[#7]-[#6](=O)-c2c(F)cc(F)cc2F)n1
CC(C)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccccc1
COc1ccc(cc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
CC(CCCN1C(=O)c2ccccc2C1=O)N1CCN(CC1)c1ncc(F)cn1
OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1
CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ncccn1
OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ccc(F)cc1
COc1ccccc1N1CCN(CC(O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1cnccn1
CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ccc(F)cc1
CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ncc(F)cn1
Fc1cnc(nc1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
CC(O)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1
Fc1cnc(nc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
CC(CCCN1C(=O)CC(C)(C)CC1=O)N1CCN(CC1)c1ncc(F)cn1
OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1cnccn1
Fc1ccc(cc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncc(F)cn2)C(=O)C1
Brc1ccc(Br)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O
O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(CC1)c1ccccc1
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N
CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(CC3)C(C)=O)CC2=O)CC1
Clc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1Cl
[O-][N+](=O)c1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CN(CCCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
FC(F)(F)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:15|
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C1CC1
Clc1cccc(Cl)c1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CCC1(C)CC(=O)N(CCN2CCN(CC2)c2cc(Cl)ccc2Cl)C(=O)C1
FC(F)(F)c1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
[O-][N+](=O)c1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Cc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O
Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
CN(CCCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1
Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CN(CCNc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
Clc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(Cl)c1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCC3)CC2=O)CC1
CC1CN(CCN1CCN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1[N+]([O-])=O
CN(CCN1C(=O)CC2(CCCC2)CC1=O)CC(=O)N(C)c1cc(Cl)ccc1Cl
CC(C)c1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CN(C(=O)CNCCN1C(=O)CC2(CCCC2)CC1=O)c1cc(Cl)ccc1Cl
CC(CN1CCN(CC1)c1cc(Cl)ccc1Cl)N1C(=O)CC2(CCCC2)CC1=O
Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Cc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)C=CC2=O)CC1 |c:18|
Cc1ccc(C)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
CC1CN(CC(C)N1CCN1C(=O)CC2(CCCC2)CC1=O)c1ccccc1[N+]([O-])=O
Clc1ccc(C#N)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CN(CCN1C(=O)CC2(CCCC2)CC1=O)CC(=O)Nc1cc(Cl)ccc1Cl
COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCC2=O)CC1
Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
Brc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccccc1C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCCC2=O)CC1
Cc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(C)c1
CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(Cl)c(OCCNCCN2C(=O)CC3(CCCC3)CC2=O)c1
Fc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
CC1(C)CC(=O)N(CCN2CCN(CC2)c2ccccc2Cl)C(=O)C1
Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(I)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1
Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
CN(CCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O
Clc1ccc(Cl)c(c1)N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
Fc1ccc(cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1)C(F)(F)F
Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)C2=O)CC1
Clc1ccccc1N1CCCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccc(cc1Cl)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
COc1ccc(F)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCCOc1ccc2CCC(=O)Nc2c1 |r|
COc1ccc(Cl)cc1[C@H]1C[C@@H]1CNCCCOc1ccc2ccc(=O)[nH]c2c1 |r|
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2scc(C)c2c1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2c(C)csc2c1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccsc2c1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2ccsc12
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccccc2c1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2occc12
COc1cccc2ccc(cc12)[C@@H]1CCN(C[C@H](O)COc2cccc3[nH]c(C)cc23)[C@@H](C)C1
C[C@H]1C[C@@H](CCN1C[C@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2ccoc2c1
O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1csc2ccccc12
C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2sccc2c1
C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1ccc2occc2c1
O[C@@H](COc1cccc2[nH]ccc12)CN1CCC(CC1)c1cc2ccccc2s1
C[C@H]1C[C@@H](CCN1C[C@@H](O)COc1cccc2[nH]c(C)cc12)c1cccc2sccc12
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
c1ccc2c(c1)c3c(ccn3S(=O)(=O)c4cccc(c4)Cl)c(n2)N5CCNCC5
Cc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4o3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4cc(I)ccc4s3)CC2)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(I)s3)CC2)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3s2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)s2)CC1
Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4ccoc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4ncccc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4[nH]ccc34)c2c1
COc1ccccc1OCCNCCCCc1c[nH]c2ccccc12
C(CNCCOc1cccc2nc[nH]c12)Cc1c[nH]c2ccccc12
Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCOc34)c2c1
Fc1cc2CCOc2c(OCCNCCCc2c[nH]c3ccc(F)cc23)c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4nccnc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4OCCOc34)c2c1
C(CNCCOc1cccc2ccccc12)Cc1c[nH]c2ccccc12
Fc1ccc2[nH]cc(CCCNCCOc3cc(F)cc4OCCOc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4nc[nH]c34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1
C(CNCCOc1cccc2[nH]ccc12)Cc1c[nH]c2ccccc12
Fc1cc2CCCOc2c(OCCNCCc2c[nH]c3ccccc23)c1
C(CNCCOc1cccc2cccnc12)Cc1c[nH]c2ccccc12
COc1ccccc1OCCNCCCc1c[nH]c2ccc(F)cc12
C(CCc1c[nH]c2ccccc12)CNCCOc1cccc2[nH]ccc12
COc1ccc(F)cc1OCCNCCc1c[nH]c2ccc(F)cc12
COc1ccc(F)cc1OCCNCCCc1c[nH]c2ccc(F)cc12
Fc1ccc2[nH]cc(CCNCCOc3cccc4OCCOc34)c2c1
Fc1ccc2[nH]cc(CCNCCOc3cc(F)cc4CCOc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4CCCCc34)c2c1
Fc1ccc2[nH]cc(CCCNCCOc3cccc4ccoc34)c2c1
COc1ccc(F)cc1OCCNCCc1c[nH]c2ccccc12
COc1cccc(OC)c1-c1cccc2C[C@@H](N)CCc12 |wD:16.17,(3.02,2.09,;1.71,1.31,;.37,2.07,;.33,3.59,;-.98,4.36,;-2.33,3.56,;-2.29,2.02,;-3.63,1.24,;-3.61,-.29,;-.97,1.28,;-.97,-.26,;-2.28,-1.03,;-2.28,-2.57,;-.97,-3.34,;.37,-2.57,;1.69,-3.34,;3.02,-2.6,;4.51,-2.99,;3.02,-1.06,;1.69,-.26,;.37,-1.03,)|
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccc(OC)cc1
CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1ccc(OC)cc1
CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1ccccc1OC
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1OC
O=C1Nc2cccc3CCCC1(CCCCN1CCc4sccc4C1)c23
CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1c(OC)cccc1OC |wD:7.6,(2.5,-6.14,;2.29,-4.62,;3.51,-3.66,;3.3,-2.15,;4.44,-1.12,;5.91,-1.61,;7.07,-.59,;1.8,-1.75,;1.8,-.22,;.47,.58,;-.86,-.17,;-.86,-1.73,;.47,-2.5,;-2.18,-2.5,;-3.49,-1.73,;-3.49,-.17,;-2.18,.58,;-2.18,2.12,;-3.51,2.87,;-4.85,2.09,;-4.83,.54,;-3.56,4.41,;-2.21,5.19,;-.88,4.43,;-.86,2.92,;.47,2.16,;1.8,2.95,)|
CCCN(CCC)[C@@H]1COc2c(C1)cccc2-c1ccccc1OC
COc1cccc(OC)c1-c1cccc2C[C@H](COc12)N(C)C |wD:16.22,(-5.36,2.24,;-4,1.49,;-2.67,2.28,;-2.7,3.82,;-1.37,4.59,;,3.84,;,2.29,;1.31,1.53,;2.64,2.29,;-1.34,1.53,;-1.34,-.01,;-2.67,-.78,;-2.67,-2.32,;-1.34,-3.09,;,-2.34,;1.31,-3.13,;2.67,-2.34,;2.67,-.78,;1.31,-.01,;,-.78,;4,-3.13,;4,-4.66,;5.35,-2.34,)|
CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1ccccc1
COc1cccc(OC)c1-c1cccc2C[C@H](CCc12)N(C)C |wD:16.22,(2.58,2.38,;1.26,1.59,;-.09,2.35,;-.11,3.87,;-1.44,4.65,;-2.77,3.85,;-2.75,2.31,;-4.09,1.52,;-4.07,-.02,;-1.42,1.56,;-1.42,.02,;-2.73,-.76,;-2.73,-2.3,;-1.42,-3.07,;-.09,-2.3,;1.25,-3.07,;2.58,-2.32,;2.58,-.78,;1.25,.02,;-.09,-.76,;4.08,-2.72,;4.29,-4.24,;5.24,-1.69,)|
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4C=CCc4c3)CC2)cc1 |c:25|
CCCN(CCC)[C@H]1COc2c(C1)cccc2-c1c(OC)cccc1OC |wD:7.6,(1.92,-6.31,;1.94,-4.77,;3.27,-4,;3.27,-2.46,;4.6,-1.69,;5.93,-2.46,;7.28,-1.69,;1.94,-1.68,;1.94,-.12,;.58,.65,;-.75,-.12,;-.75,-1.68,;.58,-2.46,;-2.08,-2.43,;-3.41,-1.66,;-3.41,-.12,;-2.08,.65,;-2.09,2.19,;-.76,2.96,;.58,2.19,;1.91,2.96,;-.76,4.5,;-2.1,5.27,;-3.45,4.47,;-3.42,2.94,;-4.75,2.16,;-6.09,2.92,)|
CNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CN(C)C)ccc1Cl
CCN(CC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
CNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
CCN(CC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
CCCN(CCC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
COc1ccccc1-c1cc(ccc1Cl)C1CCNC1
COc1ccccc1-c1cc(ccc1Cl)C1CCN(C)C1
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3C#N)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cc(OC)c(OC)c(OC)c3)c2c1
COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
COc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccc(O)cc3)c2c1 |c:16|
CCOCCOCCOc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C(N)=O)CC2)c1C#N
COc1ccc(cc1)C1=CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1 |t:9|
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OCc4ccccc4)cc3)c2c1
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC(C)=O)cc23)CC1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(O[Si](C)(C)C(C)(C)C)cc3)c2c1
NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3C(N)=O)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
CCOc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)cc3)c2c1
CC(=O)Nc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
COc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccc4OCOc4c3)c2c1 |c:16|
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OCc4ccccc4)cc23)CC1
Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(NC(C)=O)cc3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)c(OC)c3)c2c1
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
CCOc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
Oc1ccc2[nH]cc(CCCCN3CCC(CC3)c3ccccc3)c2c1
OC(=O)c1ccc2[nH]cc(CCCCN3CCC(CC3)c3ccccc3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
COC(=O)c1ccc2[nH]cc(CCCCN3CCC(CC3)c3ccccc3)c2c1
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc(F)c3C#N)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC(=O)C(C)(C)C)cc3)c2c1
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(O)cc3)c2c1
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
COc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:16|
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC4CCCC4)cc23)CC1
OC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)cc3)c2c1
COCCOc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
CCCCCOc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)cc3)c2c1
COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C(N)=O)CC2)c(OC)c1
COc1c(Cl)cc(cc1Cl)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(O)cc3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cc(C)c(OC)c(C)c3)c2c1
NC(=O)c1ccc2[nH]cc(CCCCN3CCC(CC3)c3ccccc3)c2c1
NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC(C)=O)cc3)c2c1
O=c1ccc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(cc4c3)C#N)c2c1
NC(=O)c1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
N#Cc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1cc(ccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)C#N
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C#N)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4nsnc4c3)c2c1
COc1ccc(Cl)cc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Oc1ccc(cc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CCOCCOCCOc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c1C#N
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4oc(=O)ccc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4[nH]ccc4c3)c2c1
O=Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Oc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1ccc(cc1OC)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
COc1cc(ccc1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)C1Cc2cc(ccc2O1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1c(ccc2occc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
OC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c(cccc3C#N)C#N)c2c1
Fc1cc(cc(F)c1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1cc2cc(ccc2[nH]1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1cc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c2o1
NC(=O)c1cc2ccc(cc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
NC(=O)c1cc2cc(ccc2s1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=NCc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4occc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(C#N)c(c3)C#N)c2c1
N#Cc1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
NC(=O)c1cc2c(cccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nsnc34)c2c1
COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
C(CN1C2CCC1C=C(C2)c1cc2ccccc2[nH]1)Oc1cccc2ncccc12 |c:8|
O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc(Cl)c(Cl)c1 |c:22|
O[C@H](COc1cccc2[nH]ccc12)CN1C2CCC1C=C(C2)c1ccc2ccccc2c1 |c:22|
C(CN1C2CCC1C=C(C2)c1ccc2ccccc2c1)Oc1cccc2[nH]ccc12 |c:8|
C(CN1C2CCC1C=C(C2)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12 |c:8|
O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cc(ccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2ccc(cc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
O=C1\C(Cc2cc(ccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1)=C\C1CCN(Cc2ccccc2)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1cccc(c1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccccc23)CC1
Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
Clc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
Brc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2c1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3cc(ccc23)C#N)CC1
Clc1cc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)C(=O)CCC3CCN(Cc4ccccc4)CC3)c2cc1Cl
CCN1CCC(CCC(=O)c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)CC1
CCCCN1CCC(CCC(=O)c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)CC1
O=C(CCC1CCN(CC2CC2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(CC2CCC2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(CC2CCCC2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(CC2CCCCC2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccoc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
C=CCN1CCC(CCC(=O)c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)CC1
O=C(CCC1CCN(CC#C)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Fc1ccccc1CN1CCC(CCC(=O)c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)CC1
Fc1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)c1
Fc1ccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)cc1
Clc1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)c1
Brc1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)c1
Cc1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)c1
FC(F)(F)c1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)c1
COc1cccc(CN2CCC(CCC(=O)c3ccc(cc3)N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)CC2)c1
O=C(CCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cccnc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccsc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cc[nH]c2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cc(ccc12)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2cc(ccc12)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C1C(CC2CCN(Cc3ccccc3)CC2)CC2C=C(C=CC12)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1 |c:21,23|
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccoc2)CC1)c1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccoc2)CC1)c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccoc2)CC1)c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cccnc2)CC1)c1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cccnc2)CC1)c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cccnc2)CC1)c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccsc2)CC1)c1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccsc2)CC1)c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccsc2)CC1)c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cc[nH]c2)CC1)c1ccc(cc1)N1CCN(Cc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cc[nH]c2)CC1)c1ccc(cc1)N1CCN(CCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2cc[nH]c2)CC1)c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
COc1ccccc1N1CCN(C\C=C\CN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)N1C(=O)c2ccccc2C1=O |wU:14.15,wD:17.22,(-7.13,3.8,;-6.38,2.44,;-7.18,1.11,;-8.72,1.11,;-9.49,-.22,;-8.73,-1.57,;-7.18,-1.57,;-6.41,-.24,;-4.87,-.22,;-4.08,-1.57,;-2.54,-1.57,;-1.77,-.24,;-2.54,1.11,;-4.08,1.11,;-.23,-.24,;.54,1.11,;2.08,1.09,;2.85,-.24,;2.06,-1.57,;.54,-1.57,;4.39,-.22,;5.32,-1.43,;4.86,-2.9,;6.77,-.94,;8.1,-1.66,;9.43,-.89,;9.41,.65,;8.06,1.39,;6.74,.6,;5.27,1.07,;4.77,2.54,)|
COc1ccccc1N1CCN(C\C=C/CN2C(=O)CCC2=O)CC1
COc1ccccc1N1CCN(C\C=C/CN2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)N1C(=O)CCC1=O |wU:14.15,wD:17.22,(-5.85,3.68,;-5.08,2.33,;-5.87,.97,;-7.41,.97,;-8.18,-.36,;-7.41,-1.69,;-5.87,-1.69,;-5.1,-.36,;-3.56,-.36,;-2.79,.97,;-1.23,.97,;-.46,-.36,;-1.23,-1.69,;-2.79,-1.69,;1.08,-.36,;1.87,.97,;3.39,.97,;4.18,-.36,;3.39,-1.69,;1.87,-1.69,;5.72,-.36,;6.05,1.16,;5.04,2.33,;7.57,1.32,;8.21,-.08,;7.05,-1.12,;7.19,-2.67,)|
COc1ccccc1N1CCN(C\C=C\CN2C(=O)CCC2=O)CC1
COc1ccccc1N1CCN(Cc2ccccc2CN2C(=O)CCC2=O)CC1
COc1ccccc1N1CCN(Cc2ccccc2CN2C(=O)c3ccccc3C2=O)CC1
[H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(OC)c12)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(OC)c12)C=C)C(=C/OC)\C(=O)OC |r|
[H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
[H][C@@]12C[C@@H]([C@@H](CC)CN1CCc1c2[nH]c2cccc(O)c12)C(=C/OC)\C(=O)OC |r|
[H][C@@]12C[C@@H]([C@H](CN1CCc1c2[nH]c2cccc(O)c12)C=C)C(=C/OC)\C(=O)OC |r|
CN1CCC(CC1)N1CCOc2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)N1CCc2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)C1CNc2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)n1ccc2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)n1ncc2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1n[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
CN1CCC(CC1)c1noc2ccc(NC(=O)c3ccc(F)cc3)cc12
COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3cccc(OC)c23)CC1
COc1ccc2C(CCCc2c1)NC(=O)CCCN1CCN(CC1)c1ccccc1OC
O=C(CCCCCN1CCN(CC1)c1nc2ccccc2[nH]1)NC1CCCc2ccccc12
COc1ccc2CCCC(NC(=O)CCCCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc23)CC1
COc1cccc2C(CCCc12)NC(=O)CN1CCN(CC1)c1ccccc1OC
COc1cc(Cl)ccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1cccc2C(CCCc12)NC(=O)CCCCCN1CCN(CC1)c1ccccc1OC
COc1ccc2C(CCCc2c1)NC(=O)CCCCN1CCN(CC1)c1ccccc1OC
COc1ccc2C(CCCc2c1)NC(=O)CCCCCN1CCN(CC1)c1ccccc1OC
COc1ccc(OC)c(c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
O=C(CCCCCN1CCN(CC1)c1cccc(c1)C#N)NC1CCCc2ccccc12
O=C(CCCCCN1CCN(CC1)c1noc2ccccc12)NC1CCCc2ccccc12
COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3cccc(OC)c23)CC1
COc1cccc2C(CCCc12)NC(=O)CCCCN1CCN(CC1)c1ccccc1OC
CC(=O)c1cccc(c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1cccc(c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3cccc(OC)c23)CC1
COc1ccc2CCCC(NC(=O)CCCCN3CCN(CC3)c3ccccc3OC)c2c1
COc1ccc2CCCC(NC(=O)CCCN3CCN(CC3)c3ccccc3OC)c2c1
CCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O
Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Clc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Nc1ccc(cc1)S(=O)(=O)n1cc(C2CCNCC2)c2ccc(Cl)cc12
Fc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc(N)cc1 |t:9|
COc1ccccc1OCCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:15.19,12.12,(-6.23,2.4,;-7.55,1.63,;-7.55,.09,;-8.91,-.7,;-8.91,-2.24,;-7.55,-3.01,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.69,-1.52,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.37,;2.83,1.21,;2.36,-.24,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.46,2.78,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.46,-1.03,;5.46,.53,)|
COc1ccccc1N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.51,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:11.14,8.7,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.66,4.62,;-9.21,4.64,;-9.98,3.31,;-9.22,1.97,;-7.69,1.96,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
COc1ccccc1OCCN[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:12.12,wD:15.19,(-6.22,2.4,;-7.55,1.61,;-7.55,.09,;-8.91,-.68,;-8.91,-2.24,;-7.55,-2.99,;-6.22,-2.24,;-6.22,-.68,;-4.71,-.37,;-3.68,-1.5,;-2.17,-1.2,;-1.7,.27,;-.19,.6,;.29,2.05,;1.8,2.36,;2.83,1.23,;2.36,-.26,;.85,-.57,;4.32,1.53,;4.95,2.93,;6.47,2.79,;6.79,1.28,;8.13,.53,;8.13,-1.03,;6.79,-1.8,;6.79,-3.34,;5.47,-1.03,;5.47,.51,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
COc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(F)cc12 |wU:14.15,wD:17.22,(-5.05,2.08,;-6.57,1.76,;-7.06,.3,;-8.58,-.03,;-9.05,-1.48,;-8.02,-2.65,;-6.52,-2.32,;-6.03,-.87,;-4.53,-.54,;-3.5,-1.72,;-1.98,-1.38,;-1.49,.07,;-2.52,1.24,;-4.04,.91,;.01,.4,;.5,1.87,;2,2.18,;3.03,1.02,;2.56,-.44,;1.06,-.75,;4.55,1.35,;5.16,2.76,;6.7,2.59,;7.03,1.09,;8.37,.33,;8.37,-1.23,;7.03,-1.99,;7.03,-3.54,;5.7,-1.23,;5.7,.33,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1 |wU:11.14,wD:8.7,(5.88,4.43,;6.21,2.92,;7.68,2.47,;8,.97,;6.87,-.05,;6.88,-1.62,;5.42,-2.08,;4.51,-.86,;2.99,-.87,;2.2,.48,;.65,.46,;-.12,-.87,;.68,-2.22,;2.22,-2.2,;-1.63,-.89,;-2.42,.44,;-3.96,.44,;-4.75,1.77,;-6.32,1.75,;-7.06,.4,;-8.61,.37,;-9.37,-.96,;-8.58,-2.29,;-7.02,-2.27,;-6.28,-.94,;-4.74,-.92,;5.41,.41,;5.09,1.89,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4OCCOc34)c2c1 |wU:11.14,8.7,(7.68,-3.68,;7.68,-2.14,;9.01,-1.36,;9.01,.19,;7.68,.95,;7.35,2.47,;5.83,2.61,;5.2,1.21,;3.7,.9,;2.67,2.03,;1.15,1.72,;.69,.27,;1.71,-.9,;3.23,-.58,;-.83,-.05,;-1.3,-1.53,;-2.82,-1.83,;-3.85,-.69,;-3.36,.79,;-1.86,1.09,;-5.37,-1.01,;-5.84,-2.46,;-7.36,-2.77,;-8.39,-1.62,;-7.9,-.15,;-8.92,.98,;-8.43,2.47,;-6.91,2.77,;-5.91,1.61,;-6.4,.16,;6.34,.18,;6.34,-1.36,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1 |wU:8.7,11.14,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.59,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1 |wU:8.7,11.14,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4[nH]ccc34)c2c1 |wU:11.14,wD:8.7,(7.29,-3.35,;7.29,-1.79,;8.62,-1.03,;8.62,.53,;7.29,1.29,;6.96,2.81,;5.43,2.97,;4.81,1.55,;3.29,1.24,;2.26,2.38,;.76,2.06,;.27,.6,;1.32,-.56,;2.82,-.24,;-1.23,.27,;-1.72,-1.19,;-3.22,-1.5,;-4.25,-.36,;-5.77,-.69,;-5.77,-2.23,;-7.11,-3,;-8.44,-2.23,;-8.47,-.69,;-9.6,.35,;-8.98,1.77,;-7.42,1.58,;-7.12,.09,;5.95,.53,;5.95,-1.03,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:8.7,wD:11.14,(-4.03,-2.02,;-3.69,-.51,;-2.22,-.05,;-1.89,1.44,;-3.01,2.47,;-2.99,4.01,;-4.45,4.5,;-5.37,3.27,;-6.9,3.28,;-7.69,1.96,;-9.22,1.97,;-9.98,3.31,;-9.21,4.64,;-7.66,4.62,;-11.52,3.32,;-12.3,1.99,;-13.84,2.01,;-14.59,3.34,;-13.81,4.67,;-12.29,4.67,;-16.14,3.34,;-16.9,4.68,;-18.43,4.69,;-19.22,3.36,;-18.46,2.01,;-18.93,.54,;-17.68,-.36,;-16.42,.55,;-16.91,2.02,;-4.47,2.02,;-4.81,.53,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)NCCOc3cccc4OCCOc34)c2c1 |wU:11.14,wD:8.7,(7.58,-3.4,;7.58,-1.87,;8.92,-1.08,;8.92,.47,;7.58,1.23,;7.26,2.74,;5.71,2.89,;5.11,1.49,;3.59,1.17,;2.56,2.31,;1.06,2,;.57,.54,;1.62,-.62,;3.12,-.29,;-.93,.21,;-1.42,-1.25,;-2.91,-1.57,;-3.94,-.41,;-5.46,-.75,;-5.46,-2.29,;-6.8,-3.06,;-8.13,-2.29,;-8.13,-.75,;-9.46,,;-9.46,1.54,;-8.13,2.31,;-6.8,1.54,;-6.82,.02,;6.25,.46,;6.25,-1.08,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)NCC3COc4ccccc4O3)c2c1 |wU:8.7,11.14,(6.09,4.09,;6.35,2.58,;7.79,2.04,;8.03,.53,;6.84,-.43,;6.79,-1.97,;5.3,-2.36,;4.46,-1.1,;2.92,-1.01,;2.2,.37,;.66,.44,;-.16,-.87,;.54,-2.25,;2.08,-2.32,;-1.69,-.8,;-2.39,.57,;-3.93,.64,;-4.65,2.02,;-6.22,2.09,;-7.03,.78,;-8.57,.85,;-9.39,-.45,;-8.66,-1.83,;-7.15,-1.9,;-6.31,-.59,;-4.77,-.66,;5.42,.11,;5.18,1.62,)|
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)N2CCCCC2)c2cccc(F)n2)CC1
COc1ccccc1N1CCN(CCN(C(=O)N2CCCCC2)c2cccc(Br)n2)CC1
CN1CCc2cccc-3c2C1Cc1ccc(C)c(O)c-31
CC1(CCCCC1)C(=O)N(CCN1CCN(CC1)c1ccccc1O[11CH3])c1ccccn1
COc1ccccc1N1CCN(CC(C)N(c2ccccn2)[11C](=O)C2CCCCC2)CC1
COc1ccccc1N1CCN(CC[C@@H](C(=O)N2CCCCCC2)c2ccccc2)CC1 |r|
[11CH3]Oc1ccccc1N1CCN(CCCN\C(=N/C#N)c2ccccn2)CC1
COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15|
COc1ccccc1N1CCN(CCN(C(=O)c2ccc([18F])cc2)c2ncccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)[C@H]2CC[C@H](C[18F])CC2)c2ccccn2)CC1 |r,wU:20.21,wD:17.17,(-8.67,.39,;-7.33,-.38,;-7.33,-1.92,;-8.67,-2.69,;-8.67,-4.23,;-7.34,-5,;-6,-4.23,;-6,-2.69,;-4.67,-1.92,;-4.67,-.38,;-3.33,.39,;-2,-.38,;-.67,.39,;.67,-.38,;2,.39,;3.33,-.38,;3.33,-1.92,;4.67,.39,;6,-.38,;7.33,.38,;7.33,1.92,;8.67,2.69,;8.67,4.24,;6,2.7,;4.67,1.93,;2,1.93,;.67,2.7,;.67,4.23,;2,5,;3.33,4.24,;3.34,2.7,;-2,-1.92,;-3.33,-2.69,)|
CCCN(CCCSC)C1CCc2cccc(O)c2C1
CCCN(CCCCC1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2cccc(OC)c2C1 |r|
CCCN(CCC)[C@@H]1CCc2cccc(SC)c2C1 |r|
COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)oc3c2)CC1
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
[11CH3]Oc1ccc2cccc(N3CCN(CCNC(=O)c4ccc(F)cc4)CC3)c2c1
COc1ccc2cccc(N3CCN(CCNC(=O)c4ccc([18F])cc4)CC3)c2c1
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc(n1)C(F)(F)F
COc1ccccc1N1CCN(CCNC(=O)C2CC3CCC2CC3)CC1 |(-8,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-6.67,-3.85,;-5.34,-3.08,;-5.34,-1.54,;-4,-.77,;-4,.77,;-2.67,1.54,;-1.33,.77,;-0,1.54,;1.33,.77,;2.67,1.54,;4,.77,;4,-.77,;5.33,1.54,;5.33,3.08,;6.67,3.85,;8,3.08,;8,1.54,;6.67,.77,;7.21,2,;6.19,2.52,;-1.33,-.77,;-2.67,-1.54,)|
CCCN(CCC)C1CCc2cccc(SC)c2C1
COc1ccccc1N1CCN(CCCCn2ccnc2SC)CC1
COc1ccccc1N1CCN(CCCCN(C)C(=O)c2cnc(SC)n2C)CC1
COc1ccccc1N1CCN(CCn2cc(COCC(COc3ccc(cc3)[Si]([18F])(C(C)(C)C)C(C)(C)C)OCc3cn(CCN4CCN(CC4)c4ccccc4OC)nn3)nn2)CC1
NC[C@H]1C[C@@H]1c1cc(F)ccc1COC1CC1
[11CH3]N1CCc2nc3ccnn3c(N3CCC3)c2CC1
COc1ccccc1N1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 |r|
COc1ccccc1N1CCN(CCC[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 |r|
CN1CCC(CC1)C(=O)c2cccc(n2)NC(=O)c3c(cc(cc3F)F)F
CN(C)[C@@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 |r|
CN(C)CCc1c(C)[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc[nH]c3c2=O)CC1
COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(C)cc2)CC1
COc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2cccc(Cl)c2)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2Cl)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(Cl)cc2)CC1
COc1ccc(cc1)-c1cc2[nH]c(=O)n(CCCN3CCN(CC3)c3ccccc3OC)c(=O)c2[nH]1
Clc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc[nH]c3c2=O)CC1
Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc[nH]c3c2=O)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2)CC1
Clc1ccccc1N1CCN(CCCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2)CC1
Clc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(C)cc2)CC1
Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc[nH]c3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccccc2Cl)CC1
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCN(C([2H])([2H])[2H])C(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCNC(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1
Nc1nc(N)nc(NCCCCN2CCN(CC2)c2ccccc2)n1
COc1ccccc1N1CCN(CCCCNc2nc(N)nc(N)n2)CC1
Nc1nc(N)nc(NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)n1
Nc1nc(N)nc(NCCCCCN2CCN(CC2)c2ccccc2)n1
COc1ccccc1N1CCN(CCCCCNc2nc(N)nc(N)n2)CC1
Nc1nc(N)nc(NCCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)n1
Nc1nc(N)nc(NCCCCCCN2CCN(CC2)c2ccccc2)n1
COc1ccccc1N1CCN(CCCCCCNc2nc(N)nc(N)n2)CC1
Nc1nc(N)nc(NCCCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)n1
Nc1nc(NCCN2CCN(CC2)c2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCCCN2CCN(CC2)c2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1
COc1ccccc1N1CCN(CCCCNc2nc(N)nc(NCCc3c[nH]c4ccccc34)n2)CC1
Nc1nc(NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCc2c[nH]c3ccccc23)nc(n1)N1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CC1)c1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCc2c[nH]c3ccccc23)nc(n1)N1CCN(CC1)c1cccc(Cl)c1Cl
Nc1nc(NCCNc2ccccc2)nc(NCCc2c[nH]c3ccccc23)n1
COc1ccccc1NCCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCNc2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1
COc1ccccc1OCCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCOc2cccc(Cl)c2Cl)nc(NCCc2c[nH]c3ccccc23)n1
COc1ccccc1CCNc1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
Nc1nc(NCCc2c[nH]c3ccccc23)nc(NCCc2cccc(Cl)c2Cl)n1
COc1ccccc1N1CCN(Cc2ccn(c2)-c2ccccc2C#N)CC1
COC(=O)c1cccc(C)c1-n1ccc(CN2CCN(CC2)c2ccccc2OC)c1
COc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1 |t:10|
Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13|
O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ncccn1 |c:6|
FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:26|
FC(F)(F)c1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:25|
O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1ncccn1 |c:6|
O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ccccn1 |c:6|
Clc1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Clc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:24|
COc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Clc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Clc1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1ccccn1 |c:6|
Fc1ccc(cn1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)cc2)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1
Fc1cccc(n1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Fc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(F)n2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(F)nc2)CC1
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
Cc1ccc(cc1)-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2OC)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(Cl)cc2)CC1
COc1ccccc1-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2Cl)CC1
Clc1ccc(cc1)-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2C)CC1
COc1ccc(cc1)-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2Cl)CC1
Cc1ccccc1-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(C)cc2)CC1
COc1ccc(cc1)-c1cc2c([nH]1)[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1OC)c2=O
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccccc2)CC1
CC(C)Oc1ccccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cncc4ccccc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccnc4ccccc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3OCc3ccccc3)c(=O)c21
COc1c(Cl)cccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
COc1ccc(cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1)-c1ccccc1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3OCC(C)(C)C)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4cnccc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c21
COc1ccc(cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1)C(F)(F)F
COc1ccc(C)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3-c3ccccc3)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3nccc4ccccc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ncccc34)c(=O)c21
COc1cc(Cl)c(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
COc1ccc2ccccc2c1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
COc1c(Cl)cc(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
COc1cc(Cl)ccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccsc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ncnc4ccccc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3Oc3ccccc3)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3C#N)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4CCOc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccccc34)c(=O)c21
COc1ccc(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccccc3C)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3ccc4ccccc4n3)c(=O)c21
COc1ccccc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4cccnc34)c(=O)c21
CN1CCc2c(C1)sc1ncn(CCN3CCN(CC3)c3cccc4ccncc34)c(=O)c21
COc1ccc(OC)c(c1)N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Clc1cccc(N2CCN(CCCN3CCN(CC3)c3ncccc3C#N)CC2)c1Cl
COc1ccccc1N1CCN(CCCN2CCN(CC2)c2ncccc2C#N)CC1
COc1cccc(c1)N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccc(Cl)cc4)C3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCc5ccccc5C4)C3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4ccc5ccccc5n4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4cnc5ccccc5n4)CC3)c2cc1OC
C(N1CCN(CC1)c1cccc2cn[nH]c12)C1=NC2C=CC=CC2N1 |c:22,24,t:19|
C(N1CCN(CC1)c1cccc2cn[nH]c12)C1=NC2C=CC=CC2C=C1 |c:22,24,28,t:19|
C1CN(CCN1c1cccc2cn[nH]c12)c1cccc2cncnc12
O=c1[nH]c2cccc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)c2[nH]1
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4O)C3)c2cc1OC
COc1ccccc1N1CCN(CC2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)CC1
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4cccc(Cl)c4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4cccc(c4)C(F)(F)F)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccc(O)cc4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4cccc(Cl)c4Cl)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccc(Cl)c(Cl)c4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccn4)C3)c2cc1OC
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ncccn4)C3)c2cc1OC
C(N1CCN(CC1)c1cccc2cn[nH]c12)C1=NC2C=CC=CC2N=C1 |c:22,24,28,t:19|
O=c1[nH]c2cccc(N3CCN(Cc4ccc5ccccc5n4)CC3)c2[nH]1
O=c1[nH]c2cccc(N3CCN(Cc4cnc5ccccc5n4)CC3)c2[nH]1
CCN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
COc1cccc2NCC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:14|
COc1ccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc2c1
COc1cccc2N(C)CC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12 |c:15|
CCCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:10|
CN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
C(CNCC1CN(Cc2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
Fc1ccc2[nH]cc(CCNCC3CNc4ccccc4O3)c2c1
CCCN1CC(CNCCc2c[nH]c3ccccc23)Oc2ccccc12
C(Cc1c[nH]c2ccccc12)NCC1CNc2ccccc2O1
C(CNCC1CN(c2ccccc2)c2ccccc2O1)Cc1c[nH]c2ccccc12
CCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12 |c:9|
C(Cc1c[nH]c2ccccc12)NCC1CN(c2ccccc2)c2ccccc2O1
CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2cc(Cl)ccc12
CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
CC(C)N1CC(CNCCCc2c[nH]c3ccccc23)Oc2ccccc12
CC(C)N1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
COc1cccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc12
C(C1CNc2ccccc2O1)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16|
Fc1ccc2[nH]cc(CCNCC3CN(c4ccccc4)c4ccccc4O3)c2c1
CC(C)CN1CC(CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc12
Fc1ccc2[nH]cc(CCNCC3CN(Cc4ccccc4)c4ccccc4O3)c2c1
C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
C[C@H](N)Cn1ncc2ccc(O)cc12
C[C@@H](N)Cn1ncc2ccc(O)cc12
CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCCCNC(=O)N=C(/N)NCCCc1nnc(N)s1
NC(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
C[C@@H](NC(=O)N=C(/N)NCCCc1ncn[nH]1)c1ccccc1
Cc1ccc(cc1)-c1nn(CCCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)c2ccccc12
Cc1ccc(cc1)-c1nn(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)c2ccccc12
Cc1ccc(cc1)-c1nn(CCCCCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)c2ccccc12
COc1ccccc1N1CCN(CCCCCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
CCOc1ccccc1N1CCN(CCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
Cc1ccc(cc1)-c1nn(CCCCN2CCN(CC3COc4ccccc4O3)CC2)c(=O)c2ccccc12
CC(C)Oc1ccccc1N1CCN(CCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
COc1ccccc1N1CCN(CCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
Cc1ccc(cc1)-c1nn(CCCCN2CCN(CC2)c2ncccn2)c(=O)c2ccccc12
Cc1ccc(cc1)-c1nn(CCCCCCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)c2ccccc12
CC(C)Oc1ccccc1N1CCN(CCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
CCOc1ccccc1N1CCN(CCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
CCOc1ccccc1N1CCN(CCCCCCCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
Cc1ccc(cc1)-c1nn(CCCCN2CCN(CC2)c2ccccc2)c(=O)c2ccccc12
Cc1ccc(cc1)-c1nn(CCN2CCN(CC2)c2ccccc2)c(=O)c2ccccc12
COc1ccccc1N1CCN(CCn2nc(-c3ccc(C)cc3)c3ccccc3c2=O)CC1
COc1ccccc1N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
C(N1CCC(=CC1)c1ccccc1)c1cnn(c1)-c1ccccc1 |c:4|
OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
FC(F)(F)c1cccc(c1)N1CCN(CCCCCCn2nc3ccccn3c2=O)CC1
Clc1cccc(N2CCN(CCCCCCn3nc4ccccn4c3=O)CC2)c1Cl
O=c1n(CCCCCCN2CCN(CC2)c2cccc3ccccc23)nc2ccccn12
O=c1n(CCCCCCN2CCN(CC2)c2cccc3cccnc23)nc2ccccn12
O=c1n(CCCCCCN2CCN(CC2)c2cccc3OCCOc23)nc2ccccn12
Clc1cccc(c1)N1CCN(CC1)C(=O)NCCCCCCn1nc2ccccn2c1=O
Clc1cccc(c1)N1CCN(CC2CCC(Cn3nc4ccccn4c3=O)CC2)CC1 |(9.43,-.13,;8.67,-1.46,;9.43,-2.8,;8.67,-4.08,;7.12,-4.08,;6.36,-2.8,;7.12,-1.46,;4.82,-2.8,;4.05,-1.46,;2.51,-1.46,;1.75,-2.8,;.21,-2.8,;-.56,-1.46,;.21,-.13,;-.56,1.2,;-2.1,1.2,;-2.87,2.53,;-4.41,2.53,;-5.33,3.82,;-6.76,3.3,;-8.1,4.08,;-9.43,3.3,;-9.43,1.77,;-8.1,.99,;-6.76,1.77,;-5.33,1.3,;-4.82,-.13,;-2.87,-.13,;-2.1,-1.46,;2.51,-4.08,;4.05,-4.08,)|
Clc1cccc(c1)N1CCN(Cc2ccc(Cn3nc4ccccn4c3=O)cc2)CC1
Clc1ccc(cc1)N1CCN(Cc2ccc(Cn3nc4ccccn4c3=O)cc2)CC1
Clc1cccc(c1)N1CCN(CCCCCCn2c3cccc4CCCn(c34)c2=O)CC1
Clc1cccc(c1)N1CCN(CCCCCCn2c3cccc4CCCn(c34)c2=S)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2c3cccc4CCCN(c34)S2(=O)=O)CC1
NC(=O)NCCCCCCN1CCN(CC1)c1cccc(Cl)c1
NS(=O)(=O)NCCCCCCN1CCN(CC1)c1cccc(Cl)c1
NC(=O)N1CCN(CC1)c1cccc(Cl)c1
Clc1cccc(c1)N1CCN(CCCCCCn2nc3ccccn3c2=O)CC1
COc1ccccc1N1CCN(CCCCNC(=O)[C@H](CC(N)=O)NC(=O)CC2CC3CCC2C3)CC1
COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1
COc1ccccc1N1CCN(CCCCNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 |TLB:24:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |r,TLB:22:24:27.26.31:29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)CC2CC3CCC2C3)CC1
COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1
COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1 |r|
COc1ccccc1N1CCN(CCCCNC(=O)[C@H](CC(N)=O)NC(=O)C2CCCCC2)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1
COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1 |r|
COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |r,THB:24:25:28.29:31|
COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 |r,TLB:24:26:29.28.33:31,THB:24:26:29:33.32.31,27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |TLB:22:24:27:31.30.29,THB:25:26:29:33.24.32,25:24:27.26.31:29,32:24:27:31.30.29,32:30:27:33.25.24|
COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |r,THB:23:24:27.28:30|
COc1ccccc1N1CCN(CCCCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1
COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1 |r|
COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |r,TLB:26:27:25.24.30:31,THB:28:27:24:30.29.31,28:29:26.27.32:24,26:25:27.32.28:31|
COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)C3CCCCC3)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)C[C@@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1
COc1ccccc1N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1 |r|
CN(CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1)S(=O)(=O)CC1CCCCC1
CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
CC(C)CS(=O)(=O)N(C)CCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)CC1
Cc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(=O)C2CC2)c1
Cc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(=O)C(C)(C)C)c1
CCC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
CC(C)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NC(C)=O)c1
CC(C)S(=O)(=O)N1CCC(CN2CCN(CC2)c2cccc(NC(C)=O)c2)CC1
O=C(Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1)C1CC1
[H][C@@]12CC[C@H](CN3C(=O)CCC3=O)CN1CCN(C2)c1ncccn1
CC(C)C(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(F)cc2)CC1
CC(=O)Nc1cccc(c1)N1CCN(CC2CCN(CC2)S(=O)(=O)CC2CCCCC2)CC1
Cc1ccc(cc1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(NS(C)(=O)=O)c1
CC(C)S(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)C2CCCCC2)CC1
CCCC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3CCc4ccc(CCc2cc3)cc4)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4CCc5ccc(CCc(cc4)c3o2)cc5)CC1
Fc1cccc(N2CCN(CCCCNC(=O)c3cc4CCc5ccc(CCc3cc4)cc5)CC2)c1F
CCOCC(Oc1c(C)cccc1Cl)N1CCN(CC1)c1ccccc1OC
CCOCC(Oc1c(C)cccc1C)N1CCN(CC1)c1ccccc1OC
CN1CCN(CC1)c1nc(N)nc(Cc2c[nH]c3ccccc23)n1
CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)Sc1ccc2ccccc2c1
Fc1ccc2[nH]cc(CCCNCC3CCN(CC3)C(=O)c3ccc(F)c(Cl)c3)c2c1
Fc1ccc2[nH]cc(CCCNCC3CCN(CC3)C(=O)c3ccc(Cl)c(Cl)c3)c2c1
c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F
CNC[C@H]1c2c(ccs2)CCO1
COc1ccc2c3CCN=C(C)c3[nH]c2c1 |t:9|
C(Cc1ccccc1OCc1ccccn1)c1ccccc1
COc1cccc(CCc2ccccc2OCc2cccnc2)c1
COc1cccc(CCc2ccccc2OCc2ccccc2)c1
COc1cccc(CCc2ccccc2OCc2cccc(OC)c2)c1
C(Cc1ccccc1OCc1cccnc1)c1ccccc1
C(Cc1ccccc1OCc1ccccc1)c1ccccc1
COc1cccc(CCc2ccccc2OCc2ccccn2)c1
O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:13|
O=C1CC2CCCc3ccsc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1 |c:14|
O=C1CC2CCc3ccsc3C2=NN1CCN1CCN(Cc2ccccc2)CC1 |c:13|
O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCCCC1 |c:13|
O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1 |c:13|
O=C1CC2Cc3ccsc3C2=NN1CCCCN1CCN(Cc2ccccc2)CC1 |c:12|
CCN(CC)CCCCN1N=C2C(CCc3ccsc23)CC1=O |c:10|
O=C1CC2CCc3ccsc3C2=NN1Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 |c:13|
O=C1CC2CCc3ccsc3C2=NN1CCCCN1CCCC1 |c:13|
O=C1CC2Cc3ccsc3C2=NN1CCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
O=C1CC2Cc3ccsc3C2=NN1CCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
O=C1CC2Cc3ccsc3C2=NN1CCCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
O=C1CC2Cc3ccsc3C2=NN1CCCCCCCN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1 |c:12|
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2cccc(F)n2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(F)nc2)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(C)C(=O)C3(C)C(=C2c2ccccc2)c2ccccc2)CC1 |c:32,THB:26:25:20.19:29.30|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4ncccn4)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:33,THB:28:27:3.2:30.29|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4ccccn4)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:33,THB:28:27:3.2:30.29|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4ccccc4Cl)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:34,THB:29:28:3.2:31.30|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4cccc(Cl)c4)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:34,THB:29:28:3.2:31.30|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4ccccc4F)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:34,THB:29:28:3.2:31.30|
CCC([Se]c1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CCCC([Se]c1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CCCCC([Se]c1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)[Se]c1ccccc1
CN1CCN(CC1)c1nc(N)nc(CCC[Se]c2ccccc2)n1
CC([Se]c1cc(C)ccc1C)c1nc(N)nc(n1)N1CCN(C)CC1
CCC([Se]c1cc(C)ccc1C)c1nc(N)nc(n1)N1CCN(C)CC1
CCCC([Se]c1cc(C)ccc1C)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)[Se]c1cc(C)ccc1C
CCCC([Se]c1cc(Cl)ccc1F)c1nc(N)nc(n1)N1CCN(C)CC1
CC([Se]c1cccc2ccccc12)c1nc(N)nc(n1)N1CCN(C)CC1
CCC([Se]c1cccc2ccccc12)c1nc(N)nc(n1)N1CCN(C)CC1
CC([Se]c1ccc2ccccc2c1)c1nc(N)nc(n1)N1CCN(C)CC1
CCC([Se]c1ccc2ccccc2c1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(n1)C(C)(C)[Se]c1ccc2ccccc2c1
CN1CCN(CC1)c1nc(N)nc(C[Se]Cc2ccccc2)n1
CC([Se]Cc1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CCC([Se]Cc1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(N)nc(CCC[Se]Cc2ccccc2)n1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCC3)C2=O)CC1
COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1 |w:24.25,29.30,26.28,TEB:23:24:27.28:30|
Clc1cccc(c1)N1CCN(CCCCN2C(=O)CCC2=O)CC1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |w:24.24,29.29,26.27,TEB:23:24:27.28:30|
Clc1cccc(c1)N1CCN(CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1
Clc1cccc(c1)N1CCN(CCCC[C@@H]2CCCN2C(=O)C2CCCCC2)CC1
COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C2CCCCC2)CC1
COc1ccccc1N1CCN(CCCC[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
Clc1cccc(c1)N1CCN(CCCC[C@@H]2CCCN2C(=O)CC2CC3CCC2C3)CC1 |w:23.24,28.29,25.27,TEB:22:23:26.27:29|
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccccc2)CC1
COCCOCCOc1ccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c(c1)-c1ccccc1
COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCNC(=O)NCc2ccccc2-c2ccccc2)CC1
COc1ccc(c(CNC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)-c1ccccc1
Fc1ccc2[nH]cc(CCCNC3COc4c(C3)ccc3ncccc43)c2c1 |w:12.11|
CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1 |w:16.17|
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1 |w:17.18|
Fc1ccc2[nH]cc(CCCNC3COc4ccc5ncccc5c4C3)c2c1 |w:12.11|
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
COc1cccc2OCC(Cc12)NCCCc1c[nH]c2ccc(F)cc12 |w:9.13|
CN(C)CCc1cccc(c1)-c1ccccc1C
CN(C)CCc1cccc(c1)-c1c(C)cccc1C
Cc1ccccc1-c1cccc(CCN)c1
COc1ccccc1-c1cccc(CCN(C)C)c1
NC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3cccc4cc(ccc34)C#N)OCCc2c1
C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1ccc2cc(F)ccc2c1
C[C@H]1CN(CCN1CC[C@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
C[C@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(ccc12)C#N
C[C@H]1CN(CCN1CC[C@@H]1OCC2=CC(=CCC12)C(N)=O)c1cccc2cc(F)ccc12 |w:17.17,c:15,t:13|
C[C@@H]1CN(CCN1CC[C@@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
C[C@@H]1CN(CCN1CC[C@H]1OCCc2cc(ccc12)C(N)=O)c1cccc2cc(F)ccc12
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1n[nH]c2ccccc12
COc1ccccc1N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
COc1ccc(cc1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
O=C(NCCCCN1CCN(CC1)c1ccccn1)c1n[nH]c2ccccc12
O=C(NCCCCN1CCN(CC1)c1cccnc1)c1n[nH]c2ccccc12
O=C(NCCCCN1CCN(CC1)c1ncccn1)c1n[nH]c2ccccc12
Fc1ccccc1N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
Fc1cccc(c1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
Fc1ccc(cc1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
Clc1ccccc1N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
CSc1ccccc1N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
CCOc1ccccc1N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCNC(=O)c2n[nH]c3ccccc23)CC1
Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1ccc(C)c(O)c-31
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31
CN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31
COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23
Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3ccnc4ccccc34)CC2)c1Cl |r,wU:15.18,wD:12.11,(-10.78,3.33,;-10.01,2.01,;-10.78,.67,;-10.01,-.67,;-8.47,-.67,;-7.7,.67,;-6.16,.67,;-5.39,-.67,;-3.85,-.67,;-3.08,.67,;-1.54,.67,;-.77,-.67,;.77,-.67,;1.54,-2,;3.08,-2,;3.85,-.67,;3.08,.67,;1.54,.67,;5.39,-.67,;6.16,.67,;5.39,2,;7.7,.67,;8.47,2,;10,2,;10.77,.66,;10.01,-.67,;10.78,-1.99,;10.02,-3.34,;8.49,-3.34,;7.71,-2.02,;8.47,-.67,;-3.85,2,;-5.39,2,;-8.48,2.01,;-7.71,3.34,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:7.6,wD:10.10,(10.78,2.66,;10.01,1.33,;8.47,1.33,;7.7,-0,;6.16,-0,;5.39,1.33,;5.39,-1.34,;3.85,-1.34,;3.08,-2.67,;1.54,-2.67,;.77,-1.34,;-.77,-1.34,;-1.54,-0,;-3.08,-0,;-3.85,-1.34,;-5.39,-1.34,;-6.16,-0,;-5.39,1.33,;-3.85,1.33,;-7.7,-0,;-8.47,-1.33,;-10,-1.33,;-10.78,-0,;-10.01,1.34,;-10.78,2.66,;-8.47,1.34,;-7.7,2.67,;1.54,-0,;3.08,-0,)|
CCc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3ccnc4ccccc34)CC2)c1Cl |r,wU:16.19,wD:13.12,(-11.55,3.33,;-10.01,3.33,;-9.24,2.01,;-10.01,.67,;-9.24,-.67,;-7.7,-.67,;-6.93,.67,;-5.39,.67,;-4.62,-.67,;-3.08,-.67,;-2.31,.67,;-.77,.67,;-0,-.67,;1.54,-.67,;2.31,-2,;3.85,-2,;4.62,-.67,;3.85,.67,;2.31,.67,;6.16,-.67,;6.93,.67,;6.16,2,;8.47,.67,;9.24,2,;10.77,2,;11.54,.66,;10.78,-.67,;11.55,-1.99,;10.79,-3.34,;9.26,-3.34,;8.48,-2.02,;9.24,-.67,;-3.08,2,;-4.62,2,;-7.71,2.01,;-6.94,3.34,)|
CCc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)COC)CC2)c1Cl |r,wU:16.19,wD:13.12,(-11.17,2.66,;-9.63,2.66,;-8.86,1.34,;-9.62,-0,;-8.85,-1.33,;-7.31,-1.33,;-6.54,-0,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;11.17,1.33,;-2.69,1.33,;-4.23,1.33,;-7.32,1.34,;-6.55,2.67,)|
COc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)N(C)C)CC2)c1F |r,wU:16.19,wD:13.12,(-10.4,2.66,;-8.86,2.66,;-8.09,1.34,;-8.85,-0,;-8.08,-1.33,;-6.54,-1.33,;-5.77,-0,;-4.23,-0,;-3.46,-1.34,;-1.92,-1.34,;-1.15,-0,;.39,-0,;1.16,-1.34,;2.7,-1.34,;3.47,-2.67,;5.01,-2.67,;5.78,-1.34,;5.01,-0,;3.47,-0,;7.32,-1.34,;8.09,-0,;7.32,1.33,;9.63,-0,;10.4,1.33,;10.4,-1.34,;-1.92,1.33,;-3.46,1.33,;-6.55,1.34,;-5.78,2.67,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(OC)c2F)CC1 |r,wU:7.6,wD:10.10,(11.55,2.66,;10.78,1.33,;9.24,1.33,;8.47,-0,;6.93,-0,;6.16,1.33,;6.16,-1.34,;4.62,-1.34,;3.85,-2.67,;2.31,-2.67,;1.54,-1.34,;0,-1.34,;-.77,-0,;-2.31,-0,;-3.08,-1.34,;-4.62,-1.34,;-5.39,-0,;-4.62,1.33,;-3.08,1.33,;-6.93,-0,;-7.7,-1.33,;-9.24,-1.33,;-10.01,-0,;-9.24,1.34,;-10.01,2.66,;-11.55,2.66,;-7.7,1.34,;-6.93,2.67,;2.31,-0,;3.85,-0,)|
FC(F)(F)c1cccc(n1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccnc3ccccc23)CC1 |r,wU:19.23,wD:16.16,(-11.56,2.67,;-10.02,2.67,;-9.25,4,;-10.79,4,;-9.25,1.33,;-10.01,.01,;-9.24,-1.33,;-7.7,-1.33,;-6.93,0,;-7.71,1.33,;-5.39,0,;-4.62,-1.33,;-3.08,-1.33,;-2.31,0,;-.77,0,;-0,-1.33,;1.54,-1.33,;2.31,-2.66,;3.85,-2.66,;4.62,-1.33,;3.85,0,;2.31,0,;6.16,-1.33,;6.93,0,;6.16,1.34,;8.47,0,;9.24,1.34,;10.78,1.34,;11.55,0,;10.78,-1.34,;11.56,-2.65,;10.79,-4,;9.26,-4,;8.48,-2.68,;9.24,-1.34,;-3.08,1.34,;-4.62,1.34,)|
COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(n2)C(F)(F)F)CC1 |r,wU:7.6,wD:10.10,(11.55,2,;10.78,.67,;9.24,.67,;8.47,-.67,;6.93,-.67,;6.16,.67,;6.16,-2,;4.62,-2,;3.85,-3.33,;2.31,-3.33,;1.54,-2,;0,-2,;-.77,-.67,;-2.31,-.67,;-3.08,-2,;-4.62,-2,;-5.39,-.67,;-4.62,.67,;-3.08,.67,;-6.93,-.67,;-7.7,-2,;-9.24,-2,;-10.01,-.66,;-9.24,.67,;-7.7,.67,;-10.01,2,;-11.55,2,;-9.24,3.33,;-10.78,3.33,;2.31,-.67,;3.85,-.67,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)N(C)C)CC1 |r,wU:20.24,wD:17.17,(-8.85,-4,;-9.62,-2.67,;-8.85,-1.34,;-9.62,-0,;-8.86,1.34,;-9.63,2.66,;-7.32,1.34,;-6.55,2.67,;-7.32,4,;-6.54,-0,;-7.31,-1.34,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;9.63,-1.34,;-2.69,1.33,;-4.23,1.33,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)NC)CC1 |r,wU:20.24,wD:17.17,(-8.85,-4,;-9.62,-2.67,;-8.85,-1.34,;-9.62,-0,;-8.86,1.34,;-9.63,2.66,;-7.32,1.34,;-6.55,2.67,;-7.32,4,;-6.54,-0,;-7.31,-1.34,;-5,-0,;-4.23,-1.34,;-2.69,-1.34,;-1.92,-0,;-.38,-0,;.39,-1.34,;1.93,-1.34,;2.7,-2.67,;4.24,-2.67,;5.01,-1.34,;4.24,-0,;2.7,-0,;6.55,-1.34,;7.32,-0,;6.55,1.33,;8.86,-0,;9.63,1.33,;-2.69,1.33,;-4.23,1.33,)|
CCc1cc(Cl)c(OC)c(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)CCOC)CC1 |r,wU:20.24,wD:17.17,(-10.01,-4,;-10.78,-2.67,;-10.01,-1.34,;-10.78,-0,;-10.01,1.34,;-10.78,2.66,;-8.47,1.34,;-7.7,2.67,;-8.47,4,;-7.7,-0,;-8.47,-1.34,;-6.16,-0,;-5.39,-1.34,;-3.85,-1.34,;-3.08,-0,;-1.54,-0,;-.77,-1.34,;.77,-1.34,;1.54,-2.67,;3.08,-2.67,;3.85,-1.34,;3.08,-0,;1.54,-0,;5.39,-1.34,;6.16,-0,;5.39,1.33,;7.7,-0,;8.47,1.33,;10.01,1.33,;10.78,2.66,;-3.85,1.33,;-5.39,1.33,)|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
COc1cccc2c3CCN(CCCCOc4ccc5ccc(=O)[nH]c5c4)Cc3oc12
COc1cccc2c3CCN(CCCCOc4ccc5CCC(=O)Nc5c4)Cc3oc12
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1 |w:13.14|
Clc1cccc(N2CCN(C[C@@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
CC(=O)OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:4.23|
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
Clc1cccc(N2CCN(C[C@H]3C[C@@H]3CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(cc2)-c2ccccn2)CC1
O=C(NC/C=C/CN2CCN(c1cccc(Cl)c1Cl)CC2)c4ccc(c3cccc[n+]3[O-])cc4
Cc1cccc(n1)-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1ccc(cc1)-c1ccccn1 |w:1.0|
Cc1cccnc1-c1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)CC2)c1Cl
OC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
O=C(NC/C=C/C[N+]2([O-])CCN(c1cccc(Cl)c1Cl)CC2)c4ccc(c3ccccn3)cc4
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3cccc(=O)[nH]3)CC2)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
OC(CCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl |w:1.0|
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccc(cc3)-c3ccccn3)CC2)c1Cl
COc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
OC(CNC1CCCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
CCC(CC)NCC(O)COc1cccc2[nH]ccc12 |w:7.7|
O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12 |wU:1.0,TLB:10:9:13:6.5.4,10:5:8.9.11:13,THB:4:5:8:11.12.13,4:12:8:6.10.5,3:4:8.9.11:13,(-3.16,-7.43,;-3.16,-8.97,;-1.82,-9.73,;-.49,-8.96,;.78,-9.83,;2.2,-9.27,;3.05,-10.43,;3.09,-11.85,;4.72,-12.48,;3.77,-11.25,;3.77,-9.73,;2.3,-11.84,;.77,-11.34,;1.71,-12.41,;-4.49,-9.74,;-5.82,-8.98,;-7.15,-9.75,;-8.49,-8.99,;-9.82,-9.76,;-9.82,-11.31,;-8.49,-12.07,;-8.17,-13.59,;-6.63,-13.75,;-6,-12.34,;-7.15,-11.3,)|
OC(CCNC1CCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
O[C@@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
OC(CNC1CCCCC1)COc1cccc2[nH]ccc12 |w:1.0|
OC(CNC1CCCC1)COc1cccc2[nH]ccc12 |w:1.0|
O[C@H](CNC1CCCCC1)COc1cccc2[nH]ccc12
OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:1.0,TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
O[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
C(CNC1CCCC1)COc1cccc2[nH]ccc12
OC(CCNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:1.0,TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
CC(C)NCC(O)CCOc1cccc2[nH]ccc12 |w:5.5|
C[C@](O)(CNC1CCCCC1)COc1cccc2[nH]ccc12
OC(CCOc1cccc2[nH]ccc12)CNC1CCCCC1 |w:1.0|
C(CNC1CCCCC1)COc1cccc2[nH]ccc12
C[C@](O)(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
COC(CNC1CCCCC1)COc1cccc2[nH]ccc12 |w:2.11|
OC(CNC1CCCCC1)COc1ccc2[nH]ccc2c1 |w:1.0|
OC(CNC12CC3CC(CC(C3)C1)C2)COc1ccc2[nH]ccc2c1 |w:1.0,TLB:3:4:7:11.9.10,THB:9:8:5:11.10.12,9:10:7.8.13:5,12:10:7:13.4.5,12:4:7:11.9.10|
OC(CCOc1cccc2[nH]ccc12)CNC12CC3CC(CC(C3)C1)C2 |w:1.0,TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
COC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12 |w:2.17,TLB:4:5:8:12.10.11,THB:10:9:6:12.11.13,10:11:8.9.14:6,13:11:8:14.5.6,13:5:8:12.10.11|
C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3
N[C@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O
N[C@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O
N[C@@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O
N[C@@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
CCCN1CCO[C@@H](C1)c1cccc(O)c1
Cc1ccc(NC(=O)C[C@H](CCC(O)=O)c2noc([C@@H]3C[C@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1 |r,wU:19.18,21.21,wD:9.9,(16.24,-21,;15.33,-19.75,;13.8,-19.91,;12.9,-18.67,;13.53,-17.27,;12.62,-16.02,;11.09,-16.18,;10.19,-14.93,;10.46,-17.58,;8.93,-17.74,;8.3,-19.15,;9.21,-20.4,;8.58,-21.8,;7.05,-21.97,;9.48,-23.05,;8.03,-16.5,;8.51,-15.03,;7.26,-14.12,;6.02,-15.03,;4.54,-14.56,;3.84,-13.19,;2.47,-13.89,;1.01,-13.41,;.68,-11.91,;-.79,-11.43,;1.83,-10.88,;.28,-10.41,;3.17,-15.26,;6.49,-16.5,;5.58,-17.74,;4.17,-18.37,;5.41,-19.28,;15.05,-17.1,;15.67,-15.69,;15.96,-18.34,)|
COc1cc([Se]C(F)(F)F)c(OC)cc1CCN
CCCN(CCC)C1CCc2cccc(O)c2C1
CC(=O)N1C2CCCC1C=C(CN1C3CCC1CC(C3)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:4.39,8.9,18.22,13.14,16.16,t:10,TLB:1:3:10.35.9:7.5.6,TEB:20:18:12:14.15|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccccc1 |w:1.0|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(O)c1 |w:1.0|
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1ccc(O)cc1 |w:1.0|
CC1(C(=O)Nc2cc(Cl)cc(Cl)c2C1=O)c1cccc(OCc2ccccc2)c1 |w:1.0|
c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H]6CCO6)C(=O)O
NC(=O)c1ccc2[nH]cc(CCCN3CCC(c4ccc(F)cc4-c4ccccc4)CC3)c2c1
CSc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
COc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CCOc1ccccc1N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CCOc1ccccc1N1CCN(CCCCCn2cnc3sc(C)c(C)c3c2=O)CC1
O=S(=O)(c1ccccc1)n1cccc1-c1cccc(N2CCNCC2)c1
O=S(=O)(c1cccc(NC2CCNCC2)c1)n1cccc1-c1ccccc1
O=S(=O)(c1cccc(N2CCNCC2)c1)n1cccc1-c1ccccc1
O=S(=O)(c1cccc(N2CCNCC2)c1)n1cccc1-c1cccc(F)c1
COc1cccc(-c2cccn2S(=O)(=O)c2cccc(N3CCNCC3)c2)c1
O=C(NC1CCNCC1)c1ccn(S(=O)(=O)c2cccc(Cl)c2)c1-c1cccc(F)c1
O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1 |w:3.2|
Cc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
CCCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
FC(F)(F)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:7.6|
CCCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
FC(F)(F)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:7.6|
Clc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
Fc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4|
Fc1ccc(cc1)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:10.10|
O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:11.11|
CC(C)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1cccnc1 |w:3.2|
NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:1.0|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1 |w:3.2|
O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)c1cccnc1 |w:3.2|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccccc1 |w:3.2|
CC(C)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccco1 |w:3.2|
O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
CC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:4.3|
CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:5.4|
CC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:4.3|
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)C1CC1 |w:3.2|
CC(Oc1cc(F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(Cl)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(Cl)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(F)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(F)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(C(F)(F)F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(C(F)(F)F)ccc1F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cc(C(F)(F)F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(C(F)(F)F)ccc1C(F)(F)F)c1nc(N)nc(N2CCN(C)CC2)n1
COc1ccc(F)cc1OC(C)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(F)ccc1OC)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cccc(F)c1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cccc(F)c1F)c1nc(N)nc(N2CCN(C)CC2)n1
CC(Oc1cccc(Cl)c1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cccc(Cl)c1F)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cccc(F)c1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccncc2)nc(N2CCN(C)CC2)n1
CCCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1
CCCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(Nc2ccncc2)nc(N2CCN(C)CC2)n1
CCC(Oc1cccc(Cl)c1Cl)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1
CCC(Oc1cc(Cl)ccc1Cl)c1nc(Nc2ccccc2)nc(N2CCN(C)CC2)n1
NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O |r,wU:7.6,11.11,(32.28,3.26,;30.95,4.04,;30.96,5.58,;29.62,3.28,;28.29,4.05,;26.95,3.29,;25.62,4.07,;24.28,3.3,;22.95,4.08,;21.61,3.31,;20.27,4.08,;21.62,1.78,;20.28,1.01,;20.28,-.53,;21.53,-1.44,;21.05,-2.91,;19.51,-2.9,;18.47,-4.05,;16.96,-3.72,;15.92,-4.86,;16.5,-2.25,;17.53,-1.11,;19.03,-1.44,;22.94,1,;24.27,1.76,;25.6,.98,)|
NC(N)=NCCC[C@@H]1NC(=O)C(NC1=O)=Cc1c[nH]c2cc(Br)ccc12 |r,w:15.16,wU:7.6,(9.1,2.09,;7.77,2.87,;7.78,4.41,;6.44,2.1,;5.11,2.88,;3.77,2.11,;2.44,2.89,;1.1,2.13,;-.23,2.9,;-1.57,2.14,;-2.91,2.91,;-1.56,.6,;-.24,-.18,;1.09,.59,;2.42,-.19,;-2.89,-.17,;-2.9,-1.71,;-1.65,-2.61,;-2.13,-4.08,;-3.67,-4.08,;-4.71,-5.23,;-6.22,-4.9,;-7.26,-6.03,;-6.68,-3.42,;-5.65,-2.29,;-4.14,-2.61,)|
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Clc1ccc(cc1Cl)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(F)cc1
CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ncccn2)C1=O |THB:7:6:10.9:1.2|
COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(C)CC(C)C3C(=O)C2)CC1 |TLB:30:29:20.19:26.25|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(Cc3ccccc3)CC2)C1=O |t:8,THB:10:9:13.12:1.2|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccc(F)cc2)C1=O |t:8,THB:10:9:13.12:1.2|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccccc2)C1=O |t:8,THB:10:9:13.12:1.2|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccccn2)C1=O |t:8,THB:10:9:13.12:1.2|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ncccn2)C1=O |t:8,THB:10:9:13.12:1.2|
COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(CC(C)C3C(C)=C2)OC(C)=O)CC1 |c:32,TLB:29:28:20.19:25.24|
COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(CCC3C=C2)OC)CC1 |c:30|
COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(CC(=O)C3C(C)(C)C2)OC(C)=O)CC1 |TLB:26:25:20.19:28.31|
CCOC12CCC(C3C1C(=O)N(CCCCN1CCN(CC1)c1ccccc1OC)C3=O)C(=O)C2 |THB:33:32:8.7:5.4|
CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccccn2)C1=O |THB:7:6:10.9:1.2|
CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccccc2)C1=O |THB:7:6:10.9:1.2|
CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(CC2)c2ccc(F)cc2)C1=O |THB:7:6:10.9:1.2|
CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCCN2CCN(Cc3ccccc3)CC2)C1=O |THB:7:6:10.9:1.2|
COc1ccccc1N1CCN(CCCN2C(=O)C3C(C2=O)C2(CC(C)C3C(C)=C2)OC(C)=O)CC1 |c:31,TLB:28:27:19.18:24.23|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(CCCN2CCN(CC2)c2ccccc2)C1=O |t:8,THB:10:9:13.12:1.2|
COc1ccccc1N1CCN(CCCN2C(=O)C3C(C2=O)C2(C)CC(C)C3C(=O)C2)CC1 |TLB:29:28:19.18:25.24|
CC1CC2(C)CC(=O)C1C1C2C(=O)N(CCCN2CCN(CC2)c2ccccc2)C1=O |THB:7:6:10.9:1.2|
COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(CC(C)C3C(C)=C2)OC(C)=O)CC1 |c:32,TLB:29:28:20.19:25.24|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccn2)C1=O |t:8,THB:10:9:13.12:1.2|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccc2)C1=O |t:8,THB:10:9:13.12:1.2|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccc2F)C1=O |t:8,THB:10:9:13.12:1.2|
CC1CC2(OC(C)=O)C=C(C)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2cccc(Cl)c2)C1=O |t:8,THB:10:9:13.12:1.2|
COc1ccccc1N1CCN(CCCON2C(=O)C3C(C2=O)C2(C)CC(C)C3C(=O)C2)CC1 |TLB:30:29:20.19:26.25|
CC1CC2(C)CC(=O)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccc2)C1=O |THB:7:6:10.9:1.2|
CC1CC2(C)CC(=O)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2ccccc2F)C1=O |THB:7:6:10.9:1.2|
CC1CC2(C)CC(=O)C1C1C2C(=O)N(OCCCN2CCN(CC2)c2cccc(Cl)c2)C1=O |THB:7:6:10.9:1.2|
COc1ccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc2c1
COc1cccc2CN(CCCc3c[nH]c4ccc(I)cc34)CCc12
COc1ccc2CN(CCCc3c[nH]c4ccc(I)cc34)CCc2c1
COc1cccc2CN(CCCc3c[nH]c4ccc(Br)cc34)CCc12
COc1ccc2CN(CCCc3c[nH]c4ccc(Br)cc34)CCc2c1
COc1cccc2CN(CCCc3c[nH]c4ccc(F)cc34)CCc12
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:29,t:10|
FC(F)(F)c1nc2cccc(OCCN3CCN(CC3)c3cccc4[nH]c(nc34)C(F)(F)F)c2[nH]1
FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCOc2cccc3[nH]c(=S)[nH]c23)CC1
FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CCCOc2cccc3[nH]c(=S)[nH]c23)CC1
CN1CCc2cc(N)cc-3c2[C@H]1Cc1cccc(N)c-31 |r|
COc1cc2CCN(C)[C@@H]3Cc4cccc(N)c4-c(c1)c23 |r|
CCCCC(=O)Oc1cccc2C[C@H]3N(C)CCc4cc(OC)cc(c34)-c12 |r|
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ncccc12 |r,wU:2.24,wD:5.6,(30.15,.24,;31.69,.22,;32.48,1.55,;31.72,2.89,;30.17,2.91,;29.4,1.58,;27.85,1.59,;27.08,.26,;25.53,.27,;24.77,1.61,;25.55,2.94,;27.09,2.94,;23.23,1.61,;22.46,.28,;20.92,.28,;20.15,1.63,;20.93,2.96,;20.47,4.43,;21.72,5.32,;22.95,4.41,;22.47,2.95,;34.02,1.53,;34.91,.28,;36.39,.74,;36.4,2.28,;37.56,3.3,;37.26,4.81,;35.79,5.3,;34.64,4.28,;34.94,2.78,)|
C1C[C@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ncccc12 |r,wU:5.6,2.24,(11.14,2.18,;12.69,2.16,;13.45,.82,;12.67,-.51,;11.13,-.5,;10.37,.85,;8.83,.86,;8.05,-.47,;6.51,-.46,;5.75,.87,;6.52,2.21,;8.06,2.2,;4.2,.88,;3.43,-.45,;1.89,-.45,;1.12,.9,;1.9,2.23,;1.44,3.7,;2.69,4.59,;3.93,3.68,;3.44,2.22,;15,.8,;15.89,-.45,;17.36,.01,;17.38,1.55,;18.53,2.56,;18.23,4.08,;16.76,4.57,;15.61,3.55,;15.92,2.05,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ccccc34)c2c1 |r,wU:8.7,wD:11.14,(-1.55,5.95,;-1.24,4.44,;.22,3.95,;.52,2.44,;-.63,1.43,;-.64,-.11,;-2.12,-.57,;-3.01,.68,;-4.55,.7,;-5.33,-.63,;-6.87,-.61,;-7.62,.73,;-6.85,2.06,;-5.31,2.04,;-9.16,.74,;-9.94,-.59,;-11.49,-.58,;-12.24,.75,;-11.46,2.09,;-9.93,2.08,;-13.78,.76,;-14.56,-.57,;-16.1,-.56,;-16.87,.78,;-16.08,2.11,;-16.85,3.44,;-16.07,4.76,;-14.53,4.75,;-13.78,3.42,;-14.55,2.1,;-2.09,1.93,;-2.39,3.43,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,wD:12.15,(12.55,-43.28,;12.96,-44.78,;13.27,-46.29,;14.73,-46.78,;15.03,-48.29,;13.88,-49.31,;13.86,-50.84,;12.39,-51.3,;11.5,-50.05,;9.96,-50.04,;9.18,-51.36,;7.64,-51.35,;6.89,-50,;7.66,-48.68,;9.2,-48.69,;5.35,-49.99,;4.57,-51.32,;3.03,-51.31,;2.27,-49.98,;3.05,-48.65,;4.59,-48.65,;.73,-49.97,;-.04,-51.3,;-1.57,-51.3,;-2.34,-49.96,;-1.56,-48.63,;-2.32,-47.3,;-1.55,-45.98,;-.01,-45.98,;.75,-47.32,;-.03,-48.64,;12.42,-48.81,;12.12,-47.31,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,12.15,(-5.41,-44.52,;-5,-46.02,;-4.7,-47.53,;-3.23,-48.02,;-2.93,-49.53,;-4.08,-50.54,;-4.1,-52.08,;-5.57,-52.54,;-6.46,-51.29,;-8,-51.27,;-8.76,-49.93,;-10.3,-49.91,;-11.07,-51.24,;-10.32,-52.58,;-8.78,-52.6,;-12.62,-51.23,;-13.4,-52.56,;-14.94,-52.55,;-15.69,-51.21,;-14.91,-49.88,;-13.38,-49.89,;-17.23,-51.21,;-18,-52.54,;-19.55,-52.53,;-20.32,-51.19,;-19.52,-49.86,;-20.29,-48.54,;-19.52,-47.21,;-17.98,-47.22,;-17.23,-48.55,;-17.99,-49.87,;-5.54,-50.04,;-5.84,-48.54,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:12.15,wD:9.8,(34.65,-31.84,;35.06,-33.34,;35.37,-34.85,;36.83,-35.34,;37.13,-36.85,;35.98,-37.86,;35.96,-39.4,;34.49,-39.86,;33.6,-38.61,;32.06,-38.59,;31.3,-37.25,;29.76,-37.23,;28.98,-38.56,;29.74,-39.91,;31.27,-39.92,;27.44,-38.55,;26.67,-39.88,;25.13,-39.87,;24.37,-38.54,;25.14,-37.21,;26.68,-37.21,;22.83,-38.53,;22.06,-39.86,;20.52,-39.86,;19.75,-38.51,;20.53,-37.18,;19.77,-35.86,;20.54,-34.53,;22.08,-34.54,;22.84,-35.87,;22.06,-37.2,;34.52,-37.37,;34.22,-35.86,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:9.8,12.15,(14.01,-32.59,;14.42,-34.09,;14.73,-35.6,;16.19,-36.09,;16.49,-37.6,;15.34,-38.61,;15.33,-40.15,;13.85,-40.61,;12.96,-39.36,;11.42,-39.34,;10.66,-38,;9.12,-37.98,;8.35,-39.31,;9.1,-40.66,;10.64,-40.67,;6.81,-39.3,;6.03,-40.63,;4.49,-40.62,;3.73,-39.29,;4.51,-37.96,;6.04,-37.96,;2.19,-39.28,;1.42,-40.61,;-.12,-40.61,;-.89,-39.26,;-.11,-37.93,;-.87,-36.61,;-.1,-35.28,;1.44,-35.29,;2.2,-36.62,;1.43,-37.95,;13.88,-38.12,;13.58,-36.61,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:8.7,wD:11.14,(-6.13,-34.96,;-5.82,-36.47,;-4.36,-36.96,;-4.06,-38.47,;-5.21,-39.48,;-5.23,-41.01,;-6.7,-41.47,;-7.59,-40.23,;-9.13,-40.21,;-9.91,-41.54,;-11.45,-41.52,;-12.21,-40.18,;-11.44,-38.85,;-9.89,-38.87,;-13.75,-40.17,;-14.53,-41.5,;-16.07,-41.48,;-16.82,-40.15,;-16.04,-38.82,;-14.51,-38.82,;-18.36,-40.14,;-19.13,-41.48,;-20.68,-41.47,;-21.45,-40.13,;-20.65,-38.8,;-21.42,-37.47,;-20.65,-36.15,;-19.11,-36.16,;-18.36,-37.49,;-19.12,-38.81,;-6.67,-38.98,;-6.97,-37.48,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:8.7,11.14,(35.4,-23.67,;35.71,-25.18,;37.17,-25.67,;37.47,-27.18,;36.32,-28.2,;36.3,-29.73,;34.83,-30.19,;33.94,-28.94,;32.4,-28.93,;31.64,-27.59,;30.1,-27.57,;29.33,-28.9,;30.08,-30.24,;31.62,-30.25,;27.79,-28.89,;27.01,-30.22,;25.47,-30.2,;24.71,-28.87,;25.49,-27.54,;27.02,-27.54,;23.17,-28.86,;22.4,-30.19,;20.86,-30.19,;20.09,-28.85,;20.87,-27.52,;20.12,-26.19,;20.88,-24.87,;22.43,-24.87,;23.18,-26.21,;22.41,-27.53,;34.86,-27.7,;34.56,-26.2,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:9.8,wD:12.15,(17.07,-23.33,;17.49,-24.83,;17.79,-26.34,;19.26,-26.83,;19.56,-28.34,;18.4,-29.36,;18.39,-30.89,;16.92,-31.35,;16.03,-30.1,;14.49,-30.09,;13.7,-31.41,;12.17,-31.4,;11.41,-30.06,;12.18,-28.73,;13.73,-28.75,;9.87,-30.05,;9.09,-31.38,;7.55,-31.36,;6.79,-30.03,;7.57,-28.7,;9.11,-28.7,;5.25,-30.02,;4.49,-31.35,;2.95,-31.35,;2.18,-30.01,;2.96,-28.68,;2.2,-27.35,;2.97,-26.03,;4.51,-26.03,;5.27,-27.37,;4.49,-28.69,;16.95,-28.86,;16.64,-27.36,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:9.8,12.15,(-1.16,-24.06,;-.75,-25.56,;-.44,-27.07,;1.03,-27.57,;1.33,-29.08,;.17,-30.09,;.16,-31.62,;-1.31,-32.08,;-2.2,-30.84,;-3.74,-30.82,;-4.5,-29.48,;-6.05,-29.46,;-6.82,-30.79,;-6.06,-32.13,;-4.53,-32.15,;-8.36,-30.78,;-9.14,-32.11,;-10.68,-32.1,;-11.44,-30.76,;-10.66,-29.43,;-9.12,-29.43,;-12.98,-30.75,;-13.75,-32.09,;-15.3,-32.08,;-16.07,-30.74,;-15.27,-29.41,;-16.04,-28.08,;-15.27,-26.76,;-13.73,-26.77,;-12.98,-28.1,;-13.74,-29.42,;-1.29,-29.59,;-1.59,-28.09,)|
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:8.7,wD:11.14,(34.61,-14.19,;34.91,-15.7,;36.38,-16.2,;36.68,-17.71,;35.52,-18.72,;35.51,-20.25,;34.04,-20.71,;33.15,-19.47,;31.61,-19.45,;30.82,-20.78,;29.29,-20.76,;28.53,-19.42,;29.3,-18.09,;30.85,-18.11,;26.99,-19.41,;26.21,-20.74,;24.67,-20.73,;23.91,-19.39,;24.69,-18.06,;26.23,-18.06,;22.37,-19.38,;21.61,-20.72,;20.07,-20.71,;19.3,-19.37,;20.08,-18.04,;19.32,-16.71,;20.09,-15.39,;21.63,-15.4,;22.39,-16.73,;21.61,-18.05,;34.07,-18.22,;33.76,-16.72,)|
Fc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:8.7,11.14,(15.69,-14.56,;15.99,-16.07,;17.46,-16.56,;17.76,-18.07,;16.6,-19.08,;16.59,-20.62,;15.12,-21.08,;14.23,-19.83,;12.69,-19.81,;11.93,-18.47,;10.38,-18.45,;9.61,-19.78,;10.37,-21.12,;11.9,-21.14,;8.07,-19.77,;7.29,-21.1,;5.75,-21.09,;5,-19.76,;5.77,-18.43,;7.31,-18.43,;3.45,-19.75,;2.69,-21.08,;1.15,-21.08,;.38,-19.73,;1.16,-18.4,;.4,-17.08,;1.17,-15.75,;2.71,-15.76,;3.47,-17.09,;2.69,-18.41,;15.15,-18.59,;14.84,-17.08,)|
FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |r,wU:22.28,wD:19.21,(-16.45,-13.54,;-16.45,-15.09,;-14.9,-15.09,;-17.99,-15.1,;-16.45,-16.63,;-15.2,-17.55,;-15.68,-19.01,;-14.93,-20.36,;-15.7,-21.69,;-17.26,-21.69,;-18.02,-20.34,;-17.23,-19,;-17.71,-17.53,;-13.38,-20.36,;-12.63,-21.7,;-11.08,-21.71,;-10.3,-20.38,;-11.07,-19.03,;-12.61,-19.03,;-8.76,-20.39,;-8,-21.73,;-6.47,-21.75,;-5.68,-20.42,;-6.44,-19.07,;-7.99,-19.06,;-4.14,-20.43,;-3.25,-21.68,;-1.79,-21.22,;-1.78,-19.69,;-.63,-18.68,;-.93,-17.18,;-2.39,-16.69,;-3.53,-17.7,;-3.23,-19.19,)|
FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |r,wU:19.21,22.28,(18.54,-3.2,;18.56,-4.75,;20.1,-4.75,;17.01,-4.76,;18.55,-6.29,;19.79,-7.21,;19.3,-8.67,;20.07,-10.01,;19.29,-11.34,;17.75,-11.34,;16.98,-9.99,;17.76,-8.66,;17.29,-7.19,;21.6,-10.02,;22.36,-11.35,;23.91,-11.36,;24.68,-10.03,;23.92,-8.69,;22.38,-8.69,;26.22,-10.04,;27,-8.71,;28.55,-8.73,;29.31,-10.07,;28.52,-11.4,;26.98,-11.39,;30.84,-10.09,;31.73,-11.33,;33.19,-10.87,;33.2,-9.35,;34.35,-8.34,;34.05,-6.84,;32.59,-6.35,;31.45,-7.36,;31.75,-8.85,)|
Cc1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |r,wU:19.25,wD:16.18,(-.68,-4.45,;-.69,-6,;.55,-6.91,;.07,-8.37,;.83,-9.72,;.06,-11.05,;-1.49,-11.05,;-2.25,-9.7,;-1.47,-8.37,;-1.94,-6.9,;2.37,-9.72,;3.13,-11.06,;4.67,-11.07,;5.45,-9.74,;4.69,-8.39,;3.15,-8.39,;6.99,-9.75,;7.75,-11.09,;9.28,-11.11,;10.07,-9.78,;9.31,-8.43,;7.76,-8.42,;11.6,-9.79,;12.49,-11.04,;13.95,-10.58,;13.96,-9.05,;15.11,-8.04,;14.81,-6.54,;13.36,-6.05,;12.21,-7.06,;12.52,-8.56,)|
Cc1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |r,wU:16.18,19.25,(-18.8,-3.58,;-18.81,-5.12,;-17.56,-6.03,;-18.04,-7.5,;-17.29,-8.84,;-18.06,-10.17,;-19.61,-10.17,;-20.38,-8.82,;-19.58,-7.49,;-20.06,-6.02,;-15.74,-8.85,;-14.99,-10.18,;-13.44,-10.19,;-12.66,-8.86,;-13.43,-7.52,;-14.96,-7.51,;-11.12,-8.87,;-10.34,-7.54,;-8.79,-7.56,;-8.03,-8.9,;-8.82,-10.23,;-10.36,-10.22,;-6.5,-8.92,;-5.61,-10.16,;-4.14,-9.7,;-4.13,-8.17,;-2.99,-7.17,;-3.29,-5.66,;-4.74,-5.18,;-5.89,-6.19,;-5.59,-7.68,)|
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]cnc12)c1c[nH]c2ccccc12 |r,wU:2.24,wD:5.6,(32.34,.92,;33.88,.91,;34.67,2.24,;33.9,3.58,;32.36,3.6,;31.58,2.27,;30.04,2.28,;29.26,.94,;27.72,.96,;26.96,2.29,;27.74,3.63,;29.28,3.62,;25.42,2.3,;24.65,.97,;23.1,.97,;22.33,2.32,;23.11,3.65,;22.65,5.12,;23.9,6.02,;25.14,5.11,;24.66,3.64,;36.2,2.22,;37.09,.98,;38.55,1.44,;38.56,2.97,;39.71,3.97,;39.41,5.48,;37.95,5.96,;36.81,4.95,;37.11,3.46,)|
C1C[C@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]cnc12)c1c[nH]c2ccccc12 |r,wU:5.6,2.24,(12.86,2.98,;14.41,2.97,;15.17,1.62,;14.38,.29,;12.84,.31,;12.08,1.65,;10.54,1.66,;9.76,.33,;8.22,.34,;7.46,1.68,;8.24,3.01,;9.78,3.01,;5.92,1.68,;5.15,.35,;3.6,.35,;2.84,1.7,;3.62,3.03,;3.15,4.5,;4.4,5.4,;5.65,4.49,;5.16,3.02,;16.7,1.61,;17.59,.36,;19.06,.82,;19.07,2.35,;20.21,3.36,;19.91,4.86,;18.46,5.35,;17.31,4.34,;17.61,2.84,)|
Cc1[nH]c2ccccc2c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:10.11,wD:13.18,(-8.67,-34.74,;-8.21,-36.21,;-6.75,-36.7,;-6.76,-38.24,;-5.64,-39.27,;-5.98,-40.76,;-7.44,-41.22,;-8.57,-40.18,;-8.23,-38.69,;-9.13,-37.44,;-10.66,-37.43,;-11.45,-38.75,;-12.99,-38.74,;-13.75,-37.4,;-12.97,-36.07,;-11.42,-36.09,;-15.28,-37.39,;-16.06,-38.72,;-17.6,-38.7,;-18.35,-37.37,;-17.57,-36.04,;-16.04,-36.04,;-19.89,-37.37,;-20.66,-36.03,;-22.18,-36.02,;-22.97,-37.35,;-22.21,-38.7,;-22.69,-40.17,;-21.43,-41.07,;-20.18,-40.16,;-20.66,-38.69,)|
Cc1[nH]c2ccccc2c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:13.18,10.11,(17.07,-8.54,;17.53,-10.01,;18.99,-10.5,;18.98,-12.04,;20.1,-13.07,;19.77,-14.56,;18.3,-15.02,;17.17,-13.98,;17.51,-12.49,;16.62,-11.24,;15.08,-11.23,;14.32,-9.89,;12.78,-9.87,;12,-11.2,;12.76,-12.54,;14.3,-12.55,;10.47,-11.19,;9.69,-12.52,;8.15,-12.5,;7.39,-11.17,;8.17,-9.84,;9.71,-9.84,;5.86,-11.17,;5.1,-9.83,;3.56,-9.82,;2.78,-11.15,;3.54,-12.5,;3.06,-13.97,;4.32,-14.87,;5.56,-13.96,;5.08,-12.49,)|
Clc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:8.7,wD:11.14,(32.7,-30.17,;33.04,-28.67,;34.51,-28.21,;34.84,-26.72,;33.72,-25.68,;33.73,-24.14,;32.27,-23.65,;31.36,-24.89,;29.82,-24.87,;29.04,-26.2,;27.5,-26.18,;26.75,-24.84,;27.52,-23.51,;29.06,-23.53,;25.21,-24.83,;24.43,-26.16,;22.89,-26.15,;22.13,-24.82,;22.91,-23.49,;24.45,-23.49,;20.6,-24.81,;19.84,-23.47,;18.3,-23.46,;17.52,-24.79,;18.28,-26.14,;17.81,-27.61,;19.06,-28.52,;20.31,-27.61,;19.83,-26.14,;32.25,-26.13,;31.91,-27.63,)|
Clc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:11.14,8.7,(32.7,-30.17,;33.04,-28.67,;34.51,-28.21,;34.84,-26.72,;33.72,-25.68,;33.73,-24.14,;32.27,-23.65,;31.36,-24.89,;29.82,-24.87,;29.06,-23.53,;27.52,-23.51,;26.75,-24.84,;27.5,-26.18,;29.04,-26.2,;25.21,-24.83,;24.43,-26.16,;22.89,-26.15,;22.13,-24.82,;22.91,-23.49,;24.45,-23.49,;20.6,-24.81,;19.84,-23.47,;18.3,-23.46,;17.52,-24.79,;18.28,-26.14,;17.81,-27.61,;19.06,-28.52,;20.31,-27.61,;19.83,-26.14,;32.25,-26.13,;31.91,-27.63,)|
COc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:9.8,wD:12.15,(13.16,-32.09,;14.63,-31.63,;14.97,-30.13,;16.44,-29.67,;16.77,-28.18,;15.65,-27.14,;15.67,-25.6,;14.21,-25.11,;13.29,-26.35,;11.75,-26.33,;10.97,-27.66,;9.43,-27.64,;8.68,-26.3,;9.45,-24.97,;11,-24.99,;7.14,-26.29,;6.36,-27.62,;4.82,-27.61,;4.06,-26.28,;4.84,-24.95,;6.38,-24.95,;2.53,-26.27,;1.77,-24.93,;.23,-24.92,;-.55,-26.25,;.21,-27.6,;-.27,-29.07,;.99,-29.98,;2.23,-29.07,;1.75,-27.6,;14.18,-27.59,;13.85,-29.09,)|
COc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:12.15,9.8,(13.16,-32.09,;14.63,-31.63,;14.97,-30.13,;16.44,-29.67,;16.77,-28.18,;15.65,-27.14,;15.67,-25.6,;14.21,-25.11,;13.29,-26.35,;11.75,-26.33,;11,-24.99,;9.45,-24.97,;8.68,-26.3,;9.43,-27.64,;10.97,-27.66,;7.14,-26.29,;6.36,-27.62,;4.82,-27.61,;4.06,-26.28,;4.84,-24.95,;6.38,-24.95,;2.53,-26.27,;1.77,-24.93,;.23,-24.92,;-.55,-26.25,;.21,-27.6,;-.27,-29.07,;.99,-29.98,;2.23,-29.07,;1.75,-27.6,;14.18,-27.59,;13.85,-29.09,)|
CC(C)n1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:9.12,6.5,(-3.33,-24.68,;-4.73,-24.04,;-4.88,-22.51,;-5.99,-24.94,;-7.45,-24.44,;-8.36,-25.68,;-9.89,-25.67,;-10.65,-24.32,;-12.21,-24.31,;-12.99,-25.64,;-12.22,-26.98,;-10.68,-26.99,;-14.52,-25.62,;-15.29,-26.95,;-16.83,-26.94,;-17.58,-25.61,;-16.81,-24.28,;-15.28,-24.28,;-19.13,-25.61,;-19.89,-24.27,;-21.42,-24.26,;-22.21,-25.59,;-21.45,-26.93,;-21.92,-28.4,;-20.67,-29.31,;-19.41,-28.4,;-19.9,-26.93,;-7.47,-26.93,;-7.81,-28.42,;-6.68,-29.46,;-5.21,-29,;-4.88,-27.51,;-6,-26.48,;-7.02,-30.96,;-7.43,-32.45,)|
CCCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:9.12,6.5,(39.98,-12.38,;38.72,-13.27,;37.32,-12.63,;36.06,-13.52,;34.6,-13.03,;33.69,-14.27,;32.15,-14.25,;31.4,-12.91,;29.85,-12.89,;29.08,-14.22,;29.84,-15.56,;31.37,-15.58,;27.54,-14.21,;26.76,-15.54,;25.22,-15.53,;24.46,-14.2,;25.24,-12.87,;26.78,-12.87,;22.93,-14.19,;22.17,-12.85,;20.63,-12.84,;19.85,-14.17,;20.61,-15.52,;20.14,-16.99,;21.39,-17.9,;22.64,-16.99,;22.16,-15.52,;34.58,-15.51,;34.24,-17,;35.37,-18.05,;36.84,-17.59,;37.17,-16.09,;36.05,-15.06,;35.03,-19.55,;34.62,-21.03,)|
CCn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:5.4,wD:8.11,(16.98,-13.21,;15.58,-12.57,;14.32,-13.46,;12.86,-12.97,;11.95,-14.21,;10.41,-14.19,;9.63,-15.52,;8.09,-15.5,;7.34,-14.16,;8.11,-12.83,;9.66,-12.85,;5.8,-14.15,;5.02,-15.48,;3.48,-15.47,;2.72,-14.13,;3.5,-12.8,;5.04,-12.81,;1.19,-14.13,;.43,-12.79,;-1.11,-12.78,;-1.89,-14.11,;-1.13,-15.46,;-1.6,-16.93,;-.35,-17.84,;.9,-16.93,;.42,-15.46,;12.84,-15.45,;12.5,-16.94,;13.63,-17.99,;15.1,-17.52,;15.43,-16.03,;14.31,-15,;13.29,-19.49,;12.88,-20.97,)|
CCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:8.11,5.4,(16.98,-13.21,;15.58,-12.57,;14.32,-13.46,;12.86,-12.97,;11.95,-14.21,;10.41,-14.19,;9.66,-12.85,;8.11,-12.83,;7.34,-14.16,;8.09,-15.5,;9.63,-15.52,;5.8,-14.15,;5.02,-15.48,;3.48,-15.47,;2.72,-14.13,;3.5,-12.8,;5.04,-12.81,;1.19,-14.13,;.43,-12.79,;-1.11,-12.78,;-1.89,-14.11,;-1.13,-15.46,;-1.6,-16.93,;-.35,-17.84,;.9,-16.93,;.42,-15.46,;12.84,-15.45,;12.5,-16.94,;13.63,-17.99,;15.1,-17.52,;15.43,-16.03,;14.31,-15,;13.29,-19.49,;12.88,-20.97,)|
Cn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:4.3,wD:7.10,(-3.26,-11.23,;-4.52,-12.12,;-5.98,-11.63,;-6.89,-12.87,;-8.43,-12.85,;-9.21,-14.18,;-10.74,-14.16,;-11.52,-12.82,;-10.73,-11.49,;-9.18,-11.51,;-13.05,-12.81,;-13.82,-14.14,;-15.37,-14.13,;-16.12,-12.79,;-15.34,-11.46,;-13.81,-11.47,;-17.66,-12.79,;-18.42,-11.45,;-19.95,-11.44,;-20.74,-12.77,;-19.98,-14.12,;-20.45,-15.59,;-19.2,-16.49,;-17.94,-15.58,;-18.43,-14.12,;-6,-14.11,;-6.34,-15.6,;-5.21,-16.64,;-3.74,-16.18,;-3.41,-14.69,;-4.53,-13.66,;-5.55,-18.15,;-5.96,-19.63,)|
Cn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:7.10,4.3,(-3.26,-11.23,;-4.52,-12.12,;-5.98,-11.63,;-6.89,-12.87,;-8.43,-12.85,;-9.18,-11.51,;-10.73,-11.49,;-11.52,-12.82,;-10.74,-14.16,;-9.21,-14.18,;-13.05,-12.81,;-13.82,-14.14,;-15.37,-14.13,;-16.12,-12.79,;-15.34,-11.46,;-13.81,-11.47,;-17.66,-12.79,;-18.42,-11.45,;-19.95,-11.44,;-20.74,-12.77,;-19.98,-14.12,;-20.45,-15.59,;-19.2,-16.49,;-17.94,-15.58,;-18.43,-14.12,;-6,-14.11,;-6.34,-15.6,;-5.21,-16.64,;-3.74,-16.18,;-3.41,-14.69,;-4.53,-13.66,;-5.55,-18.15,;-5.96,-19.63,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:9.8,wD:12.15,(31.78,-11.65,;32.19,-10.16,;32.53,-8.66,;33.99,-8.2,;34.33,-6.71,;33.2,-5.67,;33.22,-4.13,;31.76,-3.64,;30.84,-4.88,;29.31,-4.86,;28.52,-6.19,;26.99,-6.18,;26.23,-4.83,;27.01,-3.5,;28.55,-3.52,;24.7,-4.82,;23.92,-6.15,;22.38,-6.14,;21.62,-4.81,;22.4,-3.48,;23.93,-3.48,;20.08,-4.8,;19.32,-3.46,;17.78,-3.45,;17,-4.78,;17.77,-6.13,;17.29,-7.6,;18.54,-8.51,;19.79,-7.6,;19.31,-6.13,;31.74,-6.12,;31.4,-7.62,)|
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:12.15,9.8,(31.78,-11.65,;32.19,-10.16,;32.53,-8.66,;33.99,-8.2,;34.33,-6.71,;33.2,-5.67,;33.22,-4.13,;31.76,-3.64,;30.84,-4.88,;29.31,-4.86,;28.55,-3.52,;27.01,-3.5,;26.23,-4.83,;26.99,-6.18,;28.52,-6.19,;24.7,-4.82,;23.92,-6.15,;22.38,-6.14,;21.62,-4.81,;22.4,-3.48,;23.93,-3.48,;20.08,-4.8,;19.32,-3.46,;17.78,-3.45,;17,-4.78,;17.77,-6.13,;17.29,-7.6,;18.54,-8.51,;19.79,-7.6,;19.31,-6.13,;31.74,-6.12,;31.4,-7.62,)|
Fc1cccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c12 |r,wU:12.15,wD:9.8,(10.58,-8.48,;12.05,-8.02,;13.17,-9.06,;14.64,-8.6,;14.97,-7.11,;13.85,-6.08,;13.87,-4.54,;12.41,-4.05,;11.49,-5.28,;9.96,-5.27,;9.2,-3.93,;7.65,-3.91,;6.88,-5.24,;7.64,-6.58,;9.17,-6.59,;5.34,-5.23,;4.56,-6.56,;3.02,-6.54,;2.26,-5.21,;3.04,-3.88,;4.58,-3.88,;.73,-5.21,;-.03,-3.87,;-1.57,-3.86,;-2.35,-5.19,;-1.59,-6.54,;-2.06,-8.01,;-.81,-8.91,;.44,-8,;-.04,-6.53,;12.39,-6.53,)|
Fc1cccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c12 |r,wU:12.15,9.8,(10.58,-8.48,;12.05,-8.02,;13.17,-9.06,;14.64,-8.6,;14.97,-7.11,;13.85,-6.08,;13.87,-4.54,;12.41,-4.05,;11.49,-5.28,;9.96,-5.27,;9.2,-3.93,;7.65,-3.91,;6.88,-5.24,;7.64,-6.58,;9.17,-6.59,;5.34,-5.23,;4.56,-6.56,;3.02,-6.54,;2.26,-5.21,;3.04,-3.88,;4.58,-3.88,;.73,-5.21,;-.03,-3.87,;-1.57,-3.86,;-2.35,-5.19,;-1.59,-6.54,;-2.06,-8.01,;-.81,-8.91,;.44,-8,;-.04,-6.53,;12.39,-6.53,)|
Fc1ccc2c(c[nH]c2c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:10.11,wD:13.18,(20.51,-14.6,;19.37,-13.55,;17.91,-14.01,;16.78,-12.97,;17.12,-11.48,;16.22,-10.23,;17.14,-9,;18.6,-9.49,;18.58,-11.03,;19.71,-12.06,;14.69,-10.22,;13.9,-11.54,;12.37,-11.53,;11.61,-10.19,;12.38,-8.86,;13.93,-8.88,;10.07,-10.18,;9.29,-11.51,;7.75,-11.49,;7,-10.16,;7.77,-8.83,;9.31,-8.83,;5.46,-10.16,;4.7,-8.82,;3.16,-8.81,;2.38,-10.14,;3.14,-11.49,;2.67,-12.96,;3.92,-13.86,;5.17,-12.95,;4.69,-11.48,)|
Cn1cc([C@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(F)ccc12 |r,wU:4.3,wD:7.10,(34.32,5.15,;33.06,4.26,;31.6,4.75,;30.68,3.52,;29.15,3.53,;28.36,2.2,;26.83,2.22,;26.07,3.56,;26.85,4.89,;28.39,4.87,;24.53,3.57,;23.76,2.24,;22.22,2.26,;21.46,3.59,;22.24,4.92,;23.77,4.92,;19.92,3.59,;19.16,4.93,;17.62,4.94,;16.84,3.61,;17.61,2.26,;17.13,.79,;18.38,-.11,;19.63,.8,;19.15,2.26,;31.58,2.27,;31.24,.78,;32.36,-.26,;32.03,-1.77,;33.83,.2,;34.17,1.69,;33.04,2.72,)|
Cn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(F)ccc12 |r,wU:7.10,4.3,(34.32,5.15,;33.06,4.26,;31.6,4.75,;30.68,3.52,;29.15,3.53,;28.39,4.87,;26.85,4.89,;26.07,3.56,;26.83,2.22,;28.36,2.2,;24.53,3.57,;23.76,2.24,;22.22,2.26,;21.46,3.59,;22.24,4.92,;23.77,4.92,;19.92,3.59,;19.16,4.93,;17.62,4.94,;16.84,3.61,;17.61,2.26,;17.13,.79,;18.38,-.11,;19.63,.8,;19.15,2.26,;31.58,2.27,;31.24,.78,;32.36,-.26,;32.03,-1.77,;33.83,.2,;34.17,1.69,;33.04,2.72,)|
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ccccc12 |r,wU:2.24,wD:5.6,(8.81,1.57,;10.35,1.56,;11.13,2.89,;10.37,4.23,;8.83,4.24,;8.05,2.92,;6.52,2.93,;5.74,1.6,;4.2,1.61,;3.44,2.94,;4.22,4.27,;5.75,4.27,;1.9,2.95,;1.14,4.29,;-.4,4.3,;-1.18,2.97,;-.41,1.62,;-.89,.15,;.36,-.76,;1.61,.15,;1.13,1.62,;12.66,2.87,;13.58,4.11,;15.04,3.62,;15.03,2.08,;16.15,1.04,;15.82,-.45,;14.35,-.91,;13.22,.13,;13.56,1.62,)|
C1C[C@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ccccc12 |r,wU:5.6,2.24,(8.83,4.24,;10.37,4.23,;11.13,2.89,;10.35,1.56,;8.81,1.57,;8.05,2.92,;6.52,2.93,;5.74,1.6,;4.2,1.61,;3.44,2.94,;4.22,4.27,;5.75,4.27,;1.9,2.95,;1.14,4.29,;-.4,4.3,;-1.18,2.97,;-.41,1.62,;-.89,.15,;.36,-.76,;1.61,.15,;1.13,1.62,;12.66,2.87,;13.58,4.11,;15.04,3.62,;15.03,2.08,;16.15,1.04,;15.82,-.45,;14.35,-.91,;13.22,.13,;13.56,1.62,)|
Fc1ccc2c(c[nH]c2c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:13.18,10.11,(20.51,-14.6,;19.37,-13.55,;17.91,-14.01,;16.78,-12.97,;17.12,-11.48,;16.22,-10.23,;17.14,-9,;18.6,-9.49,;18.58,-11.03,;19.71,-12.06,;14.69,-10.22,;13.93,-8.88,;12.38,-8.86,;11.61,-10.19,;12.37,-11.53,;13.9,-11.54,;10.07,-10.18,;9.29,-11.51,;7.75,-11.49,;7,-10.16,;7.77,-8.83,;9.31,-8.83,;5.46,-10.16,;4.7,-8.82,;3.16,-8.81,;2.38,-10.14,;3.14,-11.49,;2.67,-12.96,;3.92,-13.86,;5.17,-12.95,;4.69,-11.48,)|
Clc1ccc(cc1Cl)C(=O)N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1 |r|
COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1)c23 |r|
CN1CCc2cc(O)cc-3c2[C@H]1Cc1cccc(OCCO)c-31 |r|
CCOc1cccc2C[C@H]3N(C)CCc4cc(O)cc(c34)-c12 |r|
CCCN1CCc2cc(OC)cc3-c4ccccc4C[C@@H]1c23 |r|
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12|
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15|
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
COc1ccccc1N1CCN(CCSc2nc3ccccc3[nH]2)CC1
COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1
COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3s2)CC1
COc1ccccc1N1CCN(CCCCSc2nc3ccccc3o2)CC1
COc1ccccc1N1CCN(CCCCSc2nc3ccccc3s2)CC1
COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3o2)CC1
COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3s2)CC1
COc1ccccc1N1CCN(CCCSc2nc3ccccc3n2C)CC1
C(CSc1nc2ccccc2o1)CN1CCN(CC1)c1ncccn1
C(CSc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1
C(CSc1nc2ccccc2o1)CN1CCN(CC1)c1ccccn1
C(CSc1nc2ccccc2s1)CN1CCN(CC1)c1ccccn1
[O-][N+](=O)c1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCCSc2nc3ccccc3[nH]2)CC1
COc1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1
COc1ccccc1N1CCN(CCCSc2nc3ccccc3s2)CC1
COc1ccccc1N1CCN(CCCSc2nc3ccccc3[nH]2)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCSc2nc3ccccc3o2)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCSc2nc3ccccc3s2)CC1
[O-][N+](=O)c1ccccc1N1CCN(CCSc2nc3ccccc3[nH]2)CC1
COc1ccccc1N1CCN(CCSc2nc3ccccc3o2)CC1
COc1ccccc1N1CCN(CCSc2nc3ccccc3s2)CC1
CCC1SC2N=C(SCCCN3CCN(CC3)c3ncccn3)N(N)C(=O)C2=C1 |c:30,t:5|
CCC1SC2N=C(SCCCN3CCN(CC3)c3ccccc3OC)N(N)C(=O)C2=C1 |c:32,t:5|
Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12
Cc1ccc2c(c[nH]c2c1)C(=O)Nc1ccc(Oc2cccnc2C)nc1
COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Cc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Fc1ccc(-c2noc(n2)C2CCN(CC2)c2cnc3ccc(Cl)cc3c2)c(Cl)c1
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)|
FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:18.23,wD:15.16,(32.71,-15.26,;32.72,-13.72,;31.38,-12.95,;31.39,-11.41,;30.05,-10.64,;28.72,-11.4,;28.71,-12.95,;27.38,-13.71,;26.06,-12.93,;24.73,-13.7,;23.4,-12.92,;23.39,-11.39,;24.73,-10.62,;26.07,-11.4,;27.39,-10.64,;22.07,-13.7,;20.73,-12.93,;19.39,-13.7,;19.4,-15.23,;20.74,-16.01,;22.07,-15.24,;18.07,-16,;17.91,-17.55,;16.4,-17.88,;15.62,-16.54,;14.11,-16.22,;13.63,-14.76,;14.66,-13.61,;16.16,-13.92,;16.65,-15.38,;14.17,-12.15,;13.69,-10.68,)|
FCCCOc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.16,18.23,(10.45,-15.31,;10.45,-13.77,;9.11,-13,;9.12,-11.46,;7.78,-10.69,;6.45,-11.46,;6.45,-13,;5.11,-13.76,;3.79,-12.99,;2.46,-13.76,;1.13,-12.98,;1.13,-11.45,;2.47,-10.68,;3.8,-11.45,;5.13,-10.69,;-.2,-13.75,;-.2,-15.29,;-1.53,-16.06,;-2.87,-15.28,;-2.88,-13.76,;-1.54,-12.98,;-4.2,-16.06,;-4.35,-17.6,;-5.87,-17.93,;-6.65,-16.59,;-8.16,-16.28,;-8.64,-14.82,;-7.61,-13.66,;-6.11,-13.97,;-5.62,-15.43,;-8.09,-12.2,;-8.58,-10.74,)|
COc1ccc2CN(CCc2c1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(32.14,4.98,;30.81,5.75,;29.47,4.98,;29.47,3.44,;28.13,2.68,;26.81,3.46,;25.49,2.69,;24.15,3.46,;24.15,5,;25.49,5.76,;26.82,4.99,;28.15,5.75,;22.82,2.69,;21.48,3.46,;20.15,2.69,;20.15,1.16,;21.49,.38,;22.82,1.15,;18.82,.38,;18.67,-1.16,;17.15,-1.49,;16.37,-.15,;14.86,.16,;14.38,1.63,;15.41,2.78,;16.92,2.47,;17.4,1.01,;14.93,4.24,;14.45,5.7,)|
COc1ccc2CN(CCc2c1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)C#N |r,wU:12.13,15.20,(10.58,5.27,;9.25,6.04,;7.91,5.27,;7.91,3.73,;6.57,2.97,;5.25,3.74,;3.93,2.97,;2.59,3.75,;2.59,5.28,;3.93,6.05,;5.26,5.28,;6.59,6.04,;1.26,2.98,;1.26,1.44,;-.07,.67,;-1.41,1.45,;-1.41,2.97,;-.08,3.75,;-2.74,.67,;-2.89,-.87,;-4.41,-1.2,;-5.19,.14,;-6.69,.45,;-7.18,1.91,;-6.15,3.07,;-4.64,2.76,;-4.16,1.3,;-6.63,4.53,;-7.11,5.99,)|
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:9.8,wD:12.15,(14.62,-2.1,;15.1,-3.56,;15.58,-5.02,;14.55,-6.17,;15.04,-7.64,;16.54,-7.95,;17.32,-9.29,;18.84,-8.96,;19,-7.42,;20.33,-6.64,;20.32,-5.11,;21.65,-4.34,;22.99,-5.11,;22.99,-6.65,;21.66,-7.42,;24.32,-4.34,;24.32,-2.8,;25.66,-2.04,;26.99,-2.81,;28.32,-2.05,;29.64,-2.82,;29.64,-4.36,;28.31,-5.12,;26.98,-4.35,;25.66,-5.11,;17.58,-6.79,;17.09,-5.33,)|
OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
OC1(CC2CCC(C1)N2Cc1coc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
OC1(CC2CCC(C1)N2Cc1csc2ccccc12)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
OC1(CC2CCC(C1)N2Cc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 |TLB:9:8:4.5:2.1.7,0:1:4.5:8,THB:19:1:4.5:8|
CCCN1CCc2cccc3-c4cc(OC(=O)CCCC(=O)Oc5cccc6C[C@H]7N(CCC)CCc8cccc(c78)-c56)ccc4C[C@@H]1c23 |r|
CCCN1CCc2cccc3-c4cc(OC(=O)CCC(=O)Oc5cccc6C[C@H]7N(CCC)CCc8cccc(c78)-c56)ccc4C[C@@H]1c23 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CNC(=O)OCc2ccccc2)c-31 |r|
CCCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
CCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCC)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CC)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(C)=O)c-31 |r|
CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1
CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccccc1
CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCc2ccccc2C1
CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C1
CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
Oc1cc2C(CNCCc2c(c1O)-c1ccc2ccccc2c1)c1ccccc1
Oc1cc2C(CNCCc2c(c1O)-c1ccccc1)c1ccccc1
Cc1cccc(c1)-c1c(O)c(O)cc2C(CNCCc12)c1ccccc1
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-3.9,-32.75,;-5.23,-31.98,;-5.23,-30.44,;-6.57,-29.67,;-7.91,-30.46,;-7.9,-31.99,;-6.57,-32.75,;-6.56,-34.29,;-7.89,-35.07,;-9.23,-34.29,;-10.57,-35.07,;-10.57,-36.62,;-9.23,-37.39,;-7.89,-36.62,;-6.55,-37.39,;-6.55,-38.93,;-5.21,-36.61,;-3.88,-37.38,;-2.54,-36.61,;-1.21,-37.38,;.12,-36.61,;1.46,-37.38,;1.45,-38.93,;2.78,-39.7,;4.11,-38.94,;4.12,-37.39,;2.78,-36.61,;5.45,-39.71,;5.61,-41.24,;7.11,-41.56,;7.88,-40.23,;9.39,-39.92,;9.87,-38.46,;8.83,-37.31,;7.33,-37.63,;6.86,-39.08,;-5.21,-35.06,;-3.88,-34.29,)|
O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCCN1CCC(CC1)c1c[nH]c2ccccc12
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5ccccn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5ccccn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |(9.93,-30.98,;8.42,-31.3,;7.94,-32.77,;8.98,-33.91,;8.5,-35.38,;6.99,-35.69,;6.22,-37.02,;4.71,-36.69,;4.56,-35.17,;3.22,-34.39,;1.89,-35.15,;.56,-34.38,;.57,-32.84,;-.77,-32.07,;-2.1,-32.84,;-3.43,-32.07,;-4.77,-32.84,;-6.1,-32.07,;-6.1,-30.52,;-4.77,-29.75,;-7.45,-29.74,;-7.45,-28.21,;-8.79,-27.45,;-8.8,-25.91,;-7.46,-25.13,;-6.12,-25.9,;-6.12,-27.44,;-4.79,-28.2,;-8.78,-30.52,;-10.12,-29.74,;-11.45,-30.52,;-11.45,-32.07,;-10.12,-32.84,;-8.78,-32.07,;-7.44,-32.84,;-7.44,-34.38,;1.89,-32.07,;3.23,-32.85,;5.97,-34.54,;6.44,-33.09,)|
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2cccc(Cl)c2)c1
COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2cccc(Cl)c2)c1
COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2cccc(Cl)c2)c1
COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2cccc(Cl)c2)c1
COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2ccccc2OC)c1
COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2ccccc2OC)c1
COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2ccccc2OC)c1
COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2ccccc2OC)c1
COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2ccc(F)cc2)c1
COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2ccc(F)cc2)c1
COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2ccc(F)cc2)c1
COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2ccc(F)cc2)c1
COc1cccc(CCc2ccccc2OCCCN2CCc3cc(OC)c(OC)cc3C2)c1
COc1cccc(CCc2ccccc2OCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
COc1cccc(CCc2ccccc2OCCCCCN2CCc3cc(OC)c(OC)cc3C2)c1
COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2ncccn2)c1
COc1cccc(CCc2ccccc2OCCCN2CCN(CC2)c2ncccn2)c1
COc1cccc(CCc2ccccc2OCCCCN2CCN(CC2)c2ncccn2)c1
COc1cccc(CCc2ccccc2OCCCCCN2CCN(CC2)c2ncccn2)c1
COc1cccc(CCc2ccccc2OCCN2CCN(C)CC2)c1
COc1cccc(CCc2ccccc2OCCCN2CCN(C)CC2)c1
COc1cccc(CCc2ccccc2OCCCCN2CCN(C)CC2)c1
COc1cccc(CCc2ccccc2OCCCCCN2CCN(C)CC2)c1
COc1cccc(CCc2ccccc2OCCN2CCc3ccccc3C2)c1
COc1cccc(CCc2ccccc2OCCCN2CCc3ccccc3C2)c1
COc1cccc(CCc2ccccc2OCCCCN2CCc3ccccc3C2)c1
COc1cccc(CCc2ccccc2OCCCCCN2CCc3ccccc3C2)c1
COc1cccc(CCc2ccccc2OCCN2CCc3cc(OC)c(OC)cc3C2)c1
O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1cc2ccccc2o1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl
Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
COc1cccc2cc3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCn3c12 |t:18|
COc1cccc2[nH]c3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCc3c12 |t:18|
Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1
COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12
Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl
Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl
C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
C(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NCC2CC2)n1
CC(Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1)C1CC1
CC1(CC1)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
CC(C)(C)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Fc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
Clc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
Cc1[nH]c2ccc(Cl)cc2c1CCN1CCCC(C1)c1ccnc(NC2CC2)n1
Fc1cccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c12
Fc1ccc2c(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c[nH]c2c1
C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)[C@H]1COc2ccccc2O1 |r|
C(Cc1csc2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)C1Cc2ccccc2C1
CC(Cc1c[nH]c2ccccc12)N1CCCC(C1)c1ccnc(NC2CC2)n1
O=C(CN1CCCC(C1)c1ccnc(NC2CC2)n1)c1c[nH]c2ccccc12
C(Cc1cscn1)N1CCCC(C1)c1ccnc(NC2CC2)n1
C(Cc1cn[nH]c1)N1CCCC(C1)c1ccnc(NC2CC2)n1
OCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
COCCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
COCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
O=C1N(CCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1
O=C1N(CCCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc23)CC1
O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCN2C(=O)Cc3ccccc23)CC1
O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2[nH]cnc12
O=C1Cc2ccccc2N1C\C=C/CN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1C\C=C\CN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1CC#CCN1CCN(CC1)c1cccc2ccccc12
O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CC2)c2cccc3ccccc23)c1
O=C1Cc2ccccc2N1Cc1ccc(CN2CCN(CC2)c2cccc3ccccc23)cc1
O=C1Cc2ccccc2N1CCCCN1CCC(CC1)c1ccccc1
O=C1Cc2ccccc2N1CCCCN1CCCC(C1)c1ccccc1
O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1
O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
O=C1Cc2ccccc2N1CCN1CCc2ccccc2C1
Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
COc1ccc(CCN2CCC(CC2)C(O)c2cccc(OCCF)c2OC)cc1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1
COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
ONC(=N)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
N[C@@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r|
N[C@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r|
OC(=O)CN1CCN(CC1)c1ccc2ccccc2n1
CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
O=C1N(C[C@@H]2C[C@@H]2CN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
O=C1N(C[C@H]2C[C@@H]2CN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
CCCN(CCC)C1CCc2c(C)ccc(O)c2C1
COc1c2CC(N)CCc2cc2ccccc12
COc1ccc(C)c2CCC(N)Cc12
COc1cc2ccccc2c2CCC(N)Cc12
CCCN(CCC)C1CCc2c(C)ccc(OC)c2C1
CCCN(CCC)C1CCc2cc3ccccc3c(O)c2C1
CCCN(CCC)C1CCc2c(C1)c(OC)cc1ccccc21
COc1ccc2OCCC(CN3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1
COc1cccc2OCCC(CN3CCC4(CC3)N(CNC4=O)c3ccccc3)c12
COc1cccc2C(CN3CCC4(CC3)N(CNC4=O)c3ccccc3)CCOc12
COc1ccc2C(CNCCCc3ccccc3)CCOc2c1
COc1cccc2OCCC(CNCCCc3ccccc3)c12
COc1cccc2C(CNCCCc3ccccc3)CCOc12
COc1ccc2OCCC(CNCCCc3ccccc3)c2c1
COc1ccc2C(CN3CCC4(CC3)N(CNC4=O)c3ccccc3)CCOc2c1
NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)c2ccccc12
NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1
Fc1ccc(cc1)S(=O)(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1
OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)c2ccccc12
Fc1cnc(nc1)N1CCN(CCCCC2CCCCC2)CC1
Fc1cnc(nc1)N1CCN(CCCCc2ccc(F)c3ccccc23)CC1
CC(=O)OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)NC(=O)c1ccc(F)cc1
Fc1ccc(cc1)S(=O)(=O)CCCN1CCN(CC1)c1ncc(F)cn1
Fc1ccc(cc1)C(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1
Fc1ccc(CCCCN2CCN(CC2)c2ncc(F)cn2)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)OC(=O)c1ccccc1
OC(CCCN1CCN(CC1)c1ncc(F)cn1)C1CCCCC1
OC(CCCN1CCN(CC1)c1ncc(F)cn1)(C1CCCCC1)c1ccc(F)cc1
CC(=O)NC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ncc(F)cn2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ncc(F)cn2)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)c1ncc(F)cn1)NS(=O)(=O)c1ccc(F)cc1
CCCN[C@@H]1CCc2c(cccc2[C@@H]1C)C#N
CCCN[C@@H]1CCc2c(cccc2C(N)=O)[C@@H]1C
CCCN(CCC)[C@@H]1CCc2c(cccc2[C@@H]1C)C#N
CCCCN1CCCC1CNC(=O)c1cc(cc2N(C)CCOc12)S(N)(=O)=O
CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2CCOc12
CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2CCOc12
CSc1cc2N(C)CCOc2c(c1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1
CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2CCOc12
CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)C(=O)COc12
CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2N(C)C(=O)COc12
CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@@H]1CCCN1Cc1ccccc1
CCCCN1CCCC1CNC(=O)c1cccc2N(C)CCOc12
CCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2CCOc12
CSc1cc2N(C)CCOc2c(c1)C(=O)NC[C@H]1CCCN1Cc1ccccc1
CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)C(=O)COc12
CCCCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CN1CCOc2c1cc(Cl)cc2C(=O)NC[C@H]1CCCN1Cc1ccccc1
CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2CCOc12
CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CCCCCCCCCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2N(C)C(=O)COc12
CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2CCOc12
CCCCCCCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)CCOc12
CCCCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc2N(C)C(=O)COc12
CCCCN1CCC[C@@H]1CNC(=O)c1cc(SC)cc2N(C)CCOc12
CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cc2N(C)C(=O)COc12
CCCCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CCCCN1CCC[C@H]1CNC(=O)c1cc(SC)cc2N(C)CCOc12
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:32,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:30,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:28,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:24,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:25,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:26,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:27,t:10|
NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1 |c:34,t:10|
CCCCCCCNC1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:11|
CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)-n1cnc2cc(ccc12)C#N
CN(C)CCc1c[nH]c2ccc(cc12)-n1cnc2cccnc12
COc1ccc2[nH]cc(C3=CCCNC3)c2c1 |t:9|
CN1CCC=C(C1)c1c[nH]c2ccc(C)cc12 |c:4|
CCN1CCC=C(C1)c1c[nH]c2ccc(Br)cc12 |c:5|
CN1CCC=C(C1)c1c[nH]c2ccc(F)cc12 |c:4|
CCN1CCC=C(C1)c1c[nH]c2ccccc12 |c:5|
CN1CCC=C(C1)c1c[nH]c2ccc(Br)cc12 |c:4|
CCN1CCC=C(C1)c1c[nH]c2ccc(Cl)cc12 |c:5|
CCCN1CCC=C(C1)c1c[nH]c2ccc(OC)cc12 |c:6|
CCCN1CCC=C(C1)c1c[nH]c2ccc(cc12)C#N |c:6|
CCN1CCC=C(C1)c1c[nH]c2ccc(cc12)C#N |c:5|
CN1CCC=C(C1)c1c[nH]c2ccc(NC(C)=O)cc12 |c:4|
CCCN1CCC=C(C1)c1c[nH]c2ccccc12 |c:6|
CN1CCC=C(C1)c1c[nH]c2ccc(cc12)C(C)=O |c:4|
CCN1CCC=C(C1)c1c[nH]c2ccc(C)cc12 |c:5|
CN1CCC=C(C1)c1c[nH]c2ccc(cc12)C#N |c:4|
CCCN1CCC=C(C1)c1c[nH]c2ccc(cc12)C(=O)OC |c:6|
CN1CCC=C(C1)c1c[nH]c2ccc(Cl)cc12 |c:4|
CCCN1CCC=C(C1)c1c[nH]c2ccc(NC(C)=O)cc12 |c:6|
COC(=O)c1ccc2[nH]cc(C3=CCCN(C)C3)c2c1 |t:11|
CCN1CCC=C(C1)c1c[nH]c2ccc(F)cc12 |c:5|
CN1CCC=C(C1)c1c[nH]c2ccc(O)cc12 |c:4|
CCCN1CCC=C(C1)c1c[nH]c2ccc(Br)cc12 |c:6|
CCCN1CCC=C(C1)c1c[nH]c2ccc(cc12)C(N)=O |c:6|
COc1ccc2[nH]cc(C3=CCCN(C)C3)c2c1 |t:9|
CCN1CCC=C(C1)c1c[nH]c2ccc(OC)cc12 |c:5|
CN1CC[C@@H]2CCc3[nH]c4ccccc4c3[C@H]2C1
CN1CCC=C(C1)c1c[nH]c2ccc(cc12)C(N)=O |c:4|
CN1CCC=C(C1)c1c[nH]c2ccccc12 |c:4|
Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3)cc12
COc1cccc(c1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
CN1CCN(CC1)c1nccc(n1)-c1ccccc1
CN1CCN(CC1)c1nc(C)cc(n1)-c1ccoc1
CN1CCN(CC1)c1nc(cc(n1)-c1cccs1)-c1ccoc1
CN1CCN(CC1)c1nc(cc(n1)-c1cccs1)-c1cccs1
CN1CCN(CC1)c1nccc(n1)-c1ccco1
CN1CCN(CC1)c1nc(cc(n1)-c1ccco1)-c1ccoc1
CN1CCN(CC1)c1nccc(n1)-c1ccoc1
CN1CCN(CC1)c1nc(cc(n1)-c1ccccc1)-c1ccoc1
CN1CCN(CC1)c1nc(cc(n1)-c1ccoc1)-c1ccoc1
CN1CCN(CC1)c1nccc(n1)-c1cccs1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2O)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCC(O)C2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCC(O)CC2)CC1
COc1ccccc1N1CCN(CCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCN2C(=O)OCc3cc(CCCCN4CCOCC4)ccc23)CC1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)sc3c2)-[#6]-[#6]-1
COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1
COc1ccccc1N1CCN(CCCCc2ccc3N(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)C(=O)OCc3c2)CC1
COc1ccccc1N1CCN(CCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)sc3c2)CC1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3-[#7](-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)-[#6](=O)-[#8]-[#6]-c3c2)-[#6]-[#6]-1
Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCN(CC4)c4cccc(c4)C(F)(F)F)cc3sc2=O)CC1
Fc1ccc(cc1)C(=O)C1CCN(CCn2c3ccc(CCCCN4CCOCC4)cc3sc2=O)CC1
COc1ccccc1N1CCN(CCCCc2ccc3n(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)c(=O)oc3c2)CC1
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-c2ccc3n(-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)c(=O)oc3c2)-[#6]-[#6]-1
CCCN(CCC)C1CCc2c(O)cccc2C1
CCCN1CC[C@@H]2[C@H]1CCc1ccc3ccoc3c21
CCCN(CCC)[C@@H]1CCc2c(ccc3ccoc23)[C@@H]1C
CCCN(CCC)C1CCc2ccc3ccoc3c2C1
CCCN(CCC)C1CCc2ccc3occc3c2C1
CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
CCCN(CCC)C1CCc2c(C1)ccc1ccoc21
COc1ccccc1OCCNCCCC(=O)N1CCCOc2c1cnn(C)c2=O
COc1ccccc1OCCNCCC(=O)N1CCCSc2c1cnn(C)c2=O
COc1ccccc1N1CCN(CC(=O)N2CCCOc3c2cnn(C)c3=O)CC1
Cn1ncc2N(CCCOc2c1=O)C(=O)CCNCCOc1cccc(Cl)c1
Cn1ncc2N(CCCOc2c1=O)C(=O)CNCC1COc2ccccc2O1
COc1ccccc1OCCN(C)CCCN1CCCSc2c1cnn(C)c2=O
COc1ccccc1OCCN(CCC(=O)N1CCCOc2c1cnn(C)c2=O)Cc1ccccc1
COc1ccccc1OCCNC(C)C(=O)N1CCCSc2c1cnn(C)c2=O
Cn1ncc2N(CCCOc2c1=O)C(=O)CNCCOc1ccccc1
CCSc1c(cnn(C)c1=O)N(C)C(=O)CCNCCOc1ccccc1OC
Cn1ncc2N(CCCSc2c1=O)C(=O)CCNCCOc1ccccc1
Cn1ncc2N(CCCSc2c1=O)C(=O)CNCC1COc2ccccc2O1
COc1ccccc1OCCNCCCC(=O)N1CCCSc2c1cnn(C)c2=O
COc1ccccc1OCCN(C)CCC(=O)N1CCCOc2c1cnn(C)c2=O
COc1ccccc1OCC(O)CN1CCN(CC(=O)N2CCCOc3c2cnn(C)c3=O)CC1
Cn1ncc2N(CCCOc2c1=O)C(=O)CCNCCOc1ccccc1
COc1ccccc1OCCN(CCC(=O)N1CCCSc2c1cnn(C)c2=O)Cc1ccccc1
Cn1ncc2N(CCCSc2c1=O)C(=O)CCNCCOc1cccc(Cl)c1
COc1ccccc1OCCNC(C)C(=O)N1CCCOc2c1cnn(C)c2=O
COc1ccccc1OCC(O)CN1CCN(CCC(=O)N2CCCOc3c2cnn(C)c3=O)CC1
COc1ccccc1OCCNCCC(=O)N1CCCOc2c1cnn(C)c2=O
COc1cccc(OCC(O)CN2CCN(CCC(=O)N3CCCSc4c3cnn(C)c4=O)CC2)c1
COc1ccccc1OCCNCC(=O)N1CCCSc2c1cnn(C)c2=O
COc1ccccc1OCCNCC(=O)N1CCCOc2c1cnn(C)c2=O
CN1CCN(CC1)c1cc(OC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
CN1CCN(CC1)c1cc(OCC(=O)N2CCN(CC2)c2ccccc2C)ccc1Cl
COc1ccc(NC(=O)N2CCN(CC2)c2cccc3CCCCc23)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2c(C)cccc2C)cc1N1CCN(C)CC1
COc1ccc(NCC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(C)cc2C)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2C)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1N1CCN(C)CC1
CCCN1CCC(C1)c1cccc(c1)S(C)(=O)=O
CCCN1CCC(C1)c1cccc2ccccc12
C1CC(CN1)c1ccccc1
CCCN1CCC(C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
CCCN1CCC(C1)c1cccc(c1)C(F)(F)F
CCCN1CCC(C1)C1CCCCC1
CCCN1CCC(C1)c1cccnc1
CCCN1CCC(C1)c1ccccc1
C1CC(CN1)c1cccc2ccccc12
CN1CCC(C1)C1=CN=CCC1 |c:9,t:7|
CCCN1CCC(C1)c1cccc(O)c1
CS(=O)(=O)c1cccc(c1)C1CCNC1
FC(F)(F)c1cccc(c1)C1CCNC1
CCCN1CCC[C@H]2[C@H]1CCc1ccc(O)cc21
CCCCCCN1CCc2c(C1)[nH]c1ccccc21
O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
O=C(N1CCCCC1)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
O=C1N(CCCCN2CCn3c(C2)cc2ccccc32)C(=O)c2ccccc12
O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
COc1cccc2C[C@@H]3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1
O=C(N1CCc2ccccc12)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
C[C@H]1CN(CCN1CN1CC(=O)N2CCC[C@@H]2C1=O)c1cccc2ccccc12
C[C@@H]1CN(CCN1CN1CC(=O)N2CCC[C@@H]2C1=O)c1cccc2ccccc12
C[C@@H]1CN(CCN1CN1CC(=O)N2CCC[C@H]2C1=O)c1cccc2ccccc12
O=C1C2CCCN2C(=O)N1CN1CCN(CC1)c1cccc2ccccc12
O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)C2CCCN12 |c:19|
C[C@H]1CN(CCN1CCCCN1CC(=O)N2CCCC2C1=O)c1cccc2ccccc12
O=C1CN(CCCCN2CCN(CC2)c2cccc3OC=COCc23)C(=O)C2CCCN12 |c:21|
O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)[C@@H]2CCCN12
O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2ccccc12
O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)[C@H]2CCCN12
C[C@@H]1CN(CCN1CCCCN1CC(=O)N2CCCC2C1=O)c1cccc2ccccc12
O=C1C2CCCN2C(=O)N1CN1CCN(CC1)c1cccc2[nH]cnc12
O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OC=COCc12 |c:27|
O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOc12
C[C@H]1CN(CCN1CN1CC(=O)N2CCC[C@H]2C1=O)c1cccc2ccccc12
O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)[C@@H]2CCCN12 |c:19|
O=C1C2CCCN2C(=O)N1CCCCN1CCN(CC1)c1cccc2ccccc12
O=C1C2CCCN2C(=O)N1CCCCN1CCN(CC1)c1cccc2[nH]cnc12
O=C1CN(CCCCN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12
COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O
CC[C@@]12CCCN3CC[C@@]4([C@H]13)C(=Nc1ccccc41)C(C2)C(=O)OC |r,c:13|
CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@H](C1)C([O-])=O)[C@H]23 |r|
CC[C@]12CCCN3CC[C@@]4([C@H]5CCCC[C@H]5N[C@H]4[C@H](C1)C(=O)OC)[C@H]23 |r|
Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r|
C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r|
C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r|
C[C@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(OC(F)(F)F)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C(N)=O)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Br)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Cl)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)[N+]([O-])=O)COc3ccc2n1 |r|
Cc1ccc2c3O[C@@H](CN4CCC(=CC4)c4c[nH]c5ccccc45)COc3ccc2n1 |r,c:12|
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|
CCN(CC)C(=O)[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:21|
C(Oc1ccccc1C1CC1)c1ccccc1N1CCNCC1
Fc1cccc(C2CCNCC2)c1OCc1ccccc1
Fc1cccc(C2CCNCC2)c1Oc1ccccc1
Clc1cccc(Oc2ccccc2C2CCNCC2)c1
Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1
Fc1ccc(Oc2ccccc2N2CCNCC2)cc1
Clc1ccc(cc1Cl)N1CCSC(Cc2ccccc2N2CCNCC2)C1=O
Fc1cccc(Oc2ccccc2N2CCNCC2)c1
Fc1cccc(Oc2ccccc2C2CCNCC2)c1
Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1
C(Oc1ccccc1N1CCNCC1)c1ccccc1
Fc1ccccc1COc1ccccc1N1CCNCC1
Fc1ccccc1COc1ccccc1C1CCNCC1
Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1
C1CC(CCN1)c1ccccc1Oc1ccccc1
Fc1ccc(COc2ccccc2C2CCNCC2)cc1
Fc1cccc(OCc2ccccc2N2CCNCC2)c1F
Fc1cccc(OCc2ccccc2N2CCNCC2)c1
Fc1ccc(Oc2ccccc2C2CCNCC2)cc1
C(Oc1ccccc1C1CCNCC1)c1ccccc1
Fc1cccc(Oc2ccccc2)c1C1CCNCC1
C1CN(CCN1)c1ccccc1Oc1ccccc1
Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1
C(Oc1ccccc1)c1ccccc1N1CCNCC1
Fc1cccc(OCc2ccccc2)c1C1CCNCC1
Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)C1CCNCC1
Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1
C(Oc1ccccc1)c1ccccc1C1CCNCC1
Fc1cccc(OCc2ccccc2C2CCNCC2)c1
Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1
Cc1ccc(C2CCNCC2)c(Oc2ccc(F)cc2)c1
Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1
CCOC(=O)c1cc2cc(OCCCN3CCN(Cc4ccc5OCOc5c4)CC3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(OC)cc3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccccc3Cl)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccccc3C#N)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccccc3C)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3ccc(Cl)cc3)ccc2[nH]1
CCOC(=O)c1cc2cc(OCCCN3CCN(CC3)c3cccc(Cl)c3)ccc2[nH]1
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6]-[#6]-c2ccc(-[#7]S(=O)(=O)c3ccc4ccccc4c3)cc-12 |w:4.3|
[#6]-[#7]-1-[#6]-[#6]-[#8]-c2ccc(cc-12)S(=O)(=O)[#7]-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1 |w:22.24|
NC(=N)N\N=C1/CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2\C1=N\NC(N)=N
NC(=N)N\N=C1/CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
CC1(C)C\C(=N/NC(N)=N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
[#6]-[#7](-c1ccc2-[#6]-[#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1)S(=O)(=O)c1c(Cl)nc2sccn12 |w:9.9|
Cc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5CCCCn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)CC3)c2c1 |(34.52,-24.97,;33.01,-25.27,;32.53,-26.73,;33.55,-27.89,;33.06,-29.35,;31.55,-29.65,;30.77,-30.97,;29.27,-30.64,;29.12,-29.11,;27.79,-28.32,;26.45,-29.08,;25.13,-28.3,;25.14,-26.77,;23.82,-25.99,;22.48,-26.76,;21.15,-25.98,;19.81,-26.74,;18.48,-25.97,;18.49,-24.42,;19.83,-23.65,;17.16,-23.65,;15.82,-24.42,;14.5,-23.65,;13.17,-24.41,;13.17,-25.94,;14.49,-26.72,;15.81,-25.95,;17.14,-26.73,;17.13,-28.27,;17.15,-22.11,;15.82,-21.34,;15.83,-19.8,;17.15,-19.03,;18.49,-19.79,;18.5,-21.34,;19.83,-22.11,;26.47,-26,;27.8,-26.78,;30.54,-28.49,;31.02,-27.04,)|
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(OC)cc23)c1=O
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(F)cc3)c3CCCCn3c2=O)CC1
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(c3CCCCn3c2=O)-c2ccccc2Cl)CC1 |(29.32,-50.58,;30.47,-49.56,;31.97,-49.9,;32.75,-48.57,;34.25,-48.27,;34.75,-46.81,;33.72,-45.66,;32.22,-45.96,;31.73,-47.41,;30.31,-48.03,;28.99,-47.25,;27.65,-48.01,;26.32,-47.23,;26.34,-45.69,;25.01,-44.92,;23.68,-45.68,;22.35,-44.9,;21.01,-45.67,;19.68,-44.89,;19.69,-43.35,;21.02,-42.58,;18.36,-42.58,;17.02,-43.35,;15.7,-42.58,;14.37,-43.34,;14.36,-44.87,;15.69,-45.64,;17.01,-44.88,;18.34,-45.66,;18.33,-47.2,;18.35,-41.04,;17.02,-40.27,;17.02,-38.72,;18.35,-37.95,;19.69,-38.72,;19.69,-40.27,;21.03,-41.04,;27.67,-44.92,;29,-45.71,)|
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(Cl)cc3)c3CCCCn3c2=O)CC1
COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c(C)[nH]c3ccccc23)c1=O
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccc(C)cc3)c3CCCCn3c2=O)CC1
COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c(C)[nH]c3ccccc23)c1=O |(22.4,-17.18,;21.07,-17.96,;19.73,-17.19,;19.73,-15.64,;18.39,-14.87,;17.06,-15.64,;17.06,-17.19,;18.39,-17.96,;18.39,-19.5,;17.05,-20.27,;15.74,-19.5,;14.41,-20.26,;14.4,-21.79,;15.73,-22.56,;17.05,-21.8,;18.38,-22.58,;18.37,-24.12,;19.72,-21.81,;21.05,-22.59,;22.38,-21.83,;23.71,-22.6,;25.05,-21.84,;26.38,-22.62,;26.36,-24.15,;27.69,-24.93,;29.03,-24.17,;29.04,-22.63,;27.71,-21.84,;30.35,-24.95,;30.51,-26.48,;29.36,-27.51,;32.01,-26.82,;32.79,-25.49,;34.29,-25.19,;34.79,-23.74,;33.77,-22.58,;32.26,-22.89,;31.77,-24.34,;19.73,-20.27,;21.06,-19.5,)|
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccccc3)c3CCCCn3c2=O)CC1
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(c3CCCCn3c2=O)-c2ccccc2F)CC1 |(28.64,-16.85,;29.8,-15.83,;31.3,-16.16,;32.07,-14.84,;33.58,-14.54,;34.07,-13.08,;33.05,-11.92,;31.55,-12.23,;31.06,-13.68,;29.64,-14.3,;28.31,-13.52,;26.97,-14.27,;25.65,-13.5,;25.67,-11.96,;24.34,-11.18,;23,-11.95,;21.67,-11.17,;20.33,-11.93,;19,-11.16,;19.01,-9.61,;20.35,-8.85,;17.68,-8.84,;16.34,-9.61,;15.02,-8.84,;13.69,-9.6,;13.69,-11.13,;15.01,-11.91,;16.34,-11.14,;17.67,-11.92,;17.66,-13.46,;17.68,-7.3,;16.35,-6.53,;16.35,-4.99,;17.67,-4.22,;19.01,-4.98,;19.02,-6.53,;20.35,-7.3,;26.99,-11.19,;28.33,-11.97,)|
Clc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-4.37,-5.8,;-5.71,-5.03,;-5.71,-3.48,;-7.05,-2.72,;-8.38,-3.49,;-8.38,-5.04,;-7.05,-5.81,;-7.05,-7.35,;-8.39,-8.11,;-9.7,-7.35,;-11.03,-8.1,;-11.04,-9.64,;-9.71,-10.41,;-8.39,-9.65,;-7.06,-10.42,;-7.07,-11.96,;-5.72,-9.66,;-4.39,-10.44,;-3.06,-9.67,;-1.73,-10.45,;-.39,-9.69,;.94,-10.46,;.92,-12,;2.24,-12.77,;3.59,-12.02,;3.6,-10.48,;2.27,-9.69,;4.91,-12.8,;5.07,-14.33,;6.57,-14.66,;7.35,-13.34,;8.85,-13.04,;9.35,-11.58,;8.32,-10.43,;6.82,-10.73,;6.33,-12.18,;-5.71,-8.11,;-4.38,-7.35,)|
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(F)cc5)c5CCCCn5c4=O)CC3)c2c1
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4C)CC3)c2c1 |(9.86,1.66,;8.35,1.35,;7.86,-.11,;8.88,-1.26,;8.39,-2.72,;6.88,-3.02,;6.11,-4.34,;4.61,-4.01,;4.45,-2.48,;3.12,-1.7,;1.78,-2.46,;.46,-1.68,;.48,-.14,;-.85,.63,;-2.19,-.13,;-3.52,.65,;-4.86,-.12,;-6.19,.66,;-6.18,2.2,;-4.84,2.97,;-7.51,2.97,;-8.85,2.21,;-10.16,2.97,;-11.5,2.22,;-11.5,.68,;-10.18,-.09,;-8.85,.67,;-7.52,-.11,;-7.53,-1.65,;-7.51,4.51,;-8.84,5.28,;-8.84,6.83,;-7.52,7.6,;-6.18,6.83,;-6.17,5.28,;-4.84,4.51,;1.8,.63,;3.13,-.16,;5.87,-1.86,;6.36,-.41,)|
Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(21.59,-46.69,;20.25,-45.92,;20.25,-44.37,;18.9,-43.61,;17.58,-44.38,;17.58,-45.93,;18.91,-46.7,;18.91,-48.24,;17.57,-49,;16.26,-48.24,;14.93,-48.99,;14.92,-50.53,;16.25,-51.3,;17.57,-50.54,;18.9,-51.32,;18.89,-52.86,;20.24,-50.55,;21.57,-51.33,;22.9,-50.56,;24.23,-51.34,;25.57,-50.58,;26.9,-51.35,;26.88,-52.89,;28.2,-53.66,;29.55,-52.91,;29.56,-51.37,;28.23,-50.58,;30.87,-53.69,;31.03,-55.22,;32.53,-55.55,;33.31,-54.23,;34.81,-53.93,;35.31,-52.47,;34.28,-51.32,;32.78,-51.62,;32.29,-53.07,;20.24,-49,;21.58,-48.24,)|
Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(-1.48,-44.82,;-2.82,-44.05,;-2.82,-42.5,;-4.16,-41.74,;-5.49,-42.51,;-5.49,-44.05,;-4.16,-44.82,;-4.16,-46.36,;-5.49,-47.13,;-6.81,-46.36,;-8.14,-47.12,;-8.15,-48.65,;-6.82,-49.43,;-5.5,-48.66,;-4.17,-49.44,;-4.18,-50.98,;-2.83,-48.68,;-1.5,-49.45,;-.16,-48.69,;1.17,-49.47,;2.5,-48.7,;3.83,-49.48,;3.81,-51.01,;5.14,-51.79,;6.48,-51.03,;6.49,-49.49,;5.16,-48.71,;7.8,-51.82,;7.96,-53.35,;9.46,-53.68,;10.24,-52.36,;11.74,-52.06,;12.24,-50.6,;11.21,-49.44,;9.71,-49.75,;9.22,-51.2,;-2.82,-47.13,;-1.49,-46.36,)|
COc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(C)cc5)c5CCCCn5c4=O)CC3)c2c1
COc1ccccc1N1CCN(CCCn2c(C)cn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)ccn3c2c(=O)n(C)c1=O
COc1ccccc1N1CCN(CCCn2ccn3c2nc2n(C)c(=O)n(C)c(=O)c32)CC1
Cn1c2nc3n(CCCN4CCN(CC4)c4cccc(Cl)c4)ccn3c2c(=O)n(C)c1=O
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1ccccc1
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCN1CCN(CC1)c1cccc(Cl)c1
Cn1c2nc3n(CCCN4CCN(CC4)c4ccccc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
COc1ccccc1N1CCN(CCCn2c(cn3c2nc2n(C)c(=O)n(C)c(=O)c32)-c2ccccc2)CC1
Cn1c2nc3NC(Cn3c2c(=O)n(C)c1=O)C(=O)NCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCNC(=O)C2Cn3c(N2)nc2n(C)c(=O)n(C)c(=O)c32)CC1
Cn1c2nc3NC(Cn3c2c(=O)n(C)c1=O)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
Cn1c2nc3nc(NCCCN4CCN(CC4)c4ccccc4)c(Br)cn3c2c(=O)n(C)c1=O
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Fc1ccc2[nH]cc(CCCNC3COc4c(F)cc5CCNC(=O)c5c4C3)c2c1
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)cc3CCNC(=O)c3c2C1
Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4c(F)cc5CCNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCNC3COc4ccc5CCNC(=O)c5c4C3)c2c1
CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
CC(C)N(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
CC(C)CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CCNC(=O)c3c2C1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(CCC(F)(F)F)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3COc4ccc5CCNC(=O)c5c4C3)C(=O)c3ccccc3)c2c1
Fc1ccc2[nH]cc(CCCNC3COc4ccc5CNC(=O)c5c4C3)c2c1
CN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3CNC(=O)c3c2C1
Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3COc4ccc5CNC(=O)c5c4C3)C(=O)c3ccccc3)c2c1
O=C1NCc2ccc3OCC(Cc3c12)NCCCc1c[nH]c2ccc(cc12)C#N
O=C1NCc2ccc3OCC(Cc3c12)N(CCCCc1c[nH]c2ccc(cc12)C#N)CC1CC1
Fc1ccc2[nH]cc(CCCCNC3COc4ccc5CNC(=O)c5c4C3)c2c1
Fc1ccc2[nH]cc(CCCCN(CC3CC3)C3COc4ccc5CNC(=O)c5c4C3)c2c1
Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10|
Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccccc45)CC3)c2c1 |t:8|
Fc1ccc2c(c[nH]c2c1)C1=CCN(CCc2coc3ccccc23)CC1 |t:12|
C(Cc1coc2ccccc12)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:16|
Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccccc34)c2c1 |c:13|
Fc1ccc2occ(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)c2c1 |c:13|
Fc1ccc2[nH]cc(C3=CCN(CCc4coc5ccc(F)cc45)CC3)c2c1 |t:8|
COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc2c1 |c:12|
COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc2c1 |c:12|
COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc2c1 |c:12|
COc1ccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc2c1 |c:12|
COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccccc34)coc12 |c:13|
COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)coc12 |c:13|
COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)coc12 |c:13|
COc1cccc2c(CCN3CCC(=CC3)c3c[nH]c4ccc(cc34)C#N)coc12 |c:13|
COc1cccc2c(coc12)C(C)CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:19|
CN(C)CCSc1cccc(n1)-c1ccoc1
CN(C)CCOc1cccc(n1)-c1c(C)cccc1C
CN(C)CCSc1cccc(n1)-c1c(C)cccc1C
CN(C)CCOc1cccc(Br)n1
CN(C)CCSc1cccc(c1)-c1c(C)cccc1C
CN(C)CCSc1cccc(c1)-c1ccccc1
CN(C)CCSc1cccc(Br)c1
N[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12 |r|
Fc1ccccc1Oc1cccc(F)c1C1CCNCC1
C1CC(CCN1)c1cccnc1Oc1ccccc1
Fc1ccccc1Oc1ncccc1C1CCNCC1
Clc1ccccc1Oc1ncccc1C1CCNCC1
COc1ccccc1Oc1ncccc1C1CCNCC1
Cc1ccccc1Oc1ncccc1C1CCNCC1
FC(F)(F)c1ccccc1Oc1ncccc1C1CCNCC1
Clc1cccc(Oc2ncccc2C2CCNCC2)c1Cl
Fc1cccc(Oc2ncccc2C2CCNCC2)c1F
Cc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Clc1ccc(Oc2ncccc2C2CCNCC2)c(Cl)c1
Fc1ccc(Oc2ncccc2C2CCNCC2)c(F)c1
Fc1ccc(Cl)c(Oc2ncccc2C2CCNCC2)c1
COc1cccc(F)c1Oc1ncccc1C1CCNCC1
Fc1cccc(Cl)c1Oc1ncccc1C1CCNCC1
Fc1cccc(F)c1Oc1ncccc1C1CCNCC1
Cc1cccc(F)c1Oc1ncccc1C1CCNCC1
Clc1ccccc1Oc1ncccc1N1CCNCC1
Fc1cccc(Cl)c1Oc1ncccc1N1CCNCC1
COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccccc1I)C(=O)NN1CCCCC1
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl)-c1ccccc1
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1 |r|
Fc1ccccc1C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(F)c(c1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
OC(CNCC1COc2ccccc2O1)COc1ccccc1F
OC(CNCC1COc2ccccc2O1)COCc1ccccc1Cl
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1
CN1CCc2[nH]c3ccc(cc3c2C1)S(=O)(=O)Nc1cccc(F)c1
CC1(NC(=O)N(CCCN2CCN(CC2)c2ccccc2)C1=O)c1ccccc1
COc1ccccc1N1CCN(CCCN2C(=O)NC(C)(C2=O)c2ccccc2)CC1
CC1(NC(=O)N(CCCN2CCN(CC2)c2cccc(Cl)c2)C1=O)c1ccccc1
O=C1NC(C2CC2)(C(=O)N1CCCN1CCN(CC1)c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CCCN2C(=O)NC(C3CC3)(C2=O)c2ccccc2)CC1
Clc1cccc(c1)N1CCN(CCCN2C(=O)NC(C3CC3)(C2=O)c2ccccc2)CC1
O=C1NC2(CCc3ccccc23)C(=O)N1CCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
Clc1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
O=C1NC2(CCCc3ccccc23)C(=O)N1CCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
Clc1cccc(c1)N1CCN(CCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(cnc23)C(F)(F)F)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(cnc23)C(F)(F)F)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(C)cnc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(F)cnc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3c(C)cc(C)nc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(F)cnc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(F)cc3cccnc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)cc(C)nc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cccnc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cccnc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(Br)cc3cccnc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3ccc(nc23)C(F)(F)F)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(nc23)C(F)(F)F)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(C)nc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)ccnc23)c2ncccc2c1
COc1cc(N2CCN(CC2)C2CCN(CC2)c2c(F)ccc3cccnc23)c2ncccc2c1
O=C(N1CCN(CCCN=C(NC#N)c2ccncc2)CC1)c1ccco1 |w:9.8|
N#CNC(=NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1 |w:4.4|
N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccncc1 |w:4.4|
N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccncc1 |w:4.4|
FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:17.17|
Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:14.14|
Clc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:14.14|
Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccncc3)CC2)c1C |w:13.12|
CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:16.16|
COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:15.15|
COc1ccccc1N1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:15.15|
CCOCCN1CCN(CCCN=C(NC#N)c2ccncc2)CC1 |w:12.11|
Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)nn1
Oc1ccc(cc1)N1CCN(Cc2cn(nn2)-c2ccc(Cl)cc2)CC1
CCCCCCCC(O)CCc1ccc(O)c(OC)c1
CCCCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |w:15.15|
CCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |w:13.13|
CCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1 |w:11.11|
CCCCCCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:10.10|
CCCCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:8.8|
CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
C(CCCN1CCN(CC1)c1ccccc1)CCN1CCN(CC1)c1ccccc1
Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(C)c2)CC1
COc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(OC)c2)CC1
Clc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(Cl)c2)CC1
C(CCCN1CCN(CC1)c1ccccn1)CCN1CCN(CC1)c1ccccn1
C(CCCN1CCN(CC1)c1ccccn1)CCN1CCN(CC1)c1ccccc1
Cc1cccc(n1)N1CCN(CCCCCCN2CCN(CC2)c2ccccc2)CC1
Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccc2)CC1
C(CCCN1CCN(CC1)c1ccnc2ccccc12)CCN1CCN(CC1)c1ccccc1
Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2ccccn2)CC1
Cc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(C)n2)CC1
COc1cccc(c1)N1CCN(CCCCCCN2CCN(CC2)c2cccc(Cl)c2)CC1
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
COc1cccc(F)c1OC1CN(Cc2cnn(c2C)-c2ccccc2)C1
COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1
C(N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
FC(F)CCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
COc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
FCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
COc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
FCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
CN1CCN(CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
CN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
CCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc(c1)N(CC1CC1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccccc1
CCCN(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
CC(C)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCCCNC(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCCCCNC(=O)c2ccc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CNC(=O)c3c2F)CC1
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCc34)cc12
Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c12
O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4ccccc34)cc12
Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c12
Fc1ccc2cccc(N3CCN(CCCOc4ccc5CNCc5c4)CC3)c2c1
O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCOCc34)cc12
Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
Fc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
C(COc1ccc2CNCc2c1)CN1CCN(CC1)c1cccc2ccccc12
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)cc12
Fc1cc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
C(CCN1CCN(CC1)c1cccc2ccccc12)COc1ccc2CNCc2c1
Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNCc5c4)CC3)c2c1
O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCCc34)cc12
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCOCc34)cc12
Fc1cccc2cccc(N3CCN(CCCOc4ccc5CNC(=O)c5c4Cl)CC3)c12
Fc1ccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1
Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cc(F)ccc12
Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
Fc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
Fc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)cc12
Clc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2ccccc12
Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Clc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2c1
Fc1cccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)cc12
Fc1ccc2c(cccc2c1)N1CCN(CCCOc2cc3C(=O)NCc3cc2F)CC1
Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2cc(F)ccc12
Fc1cc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4)CC3)c2cc1F
Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4OCCc34)cc12
O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4OCCc34)cc12
Fc1ccc2c(cccc2c1)N1CCN(CCCOc2ccc3CNC(=O)c3c2)CC1
Fc1cccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
Fc1ccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4F)CC3)c2c1
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCCc34)cc12
Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cc(F)ccc12
O=C1NCc2ccc(OCCCCN3CCN(CC3)c3cccc4COCCc34)cc12
Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c12
Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
Clc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2cc3C(=O)NCc3cc2F)CC1
Fc1ccc2c(cccc2c1)N1CCN(CCCOc2ccc3CNC(=O)c3c2F)CC1
Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cccc(F)c12
Fc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4Cl)CC3)c12
Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CNC(=O)c5c4F)CC3)c2c1
O=C1NCc2ccc(OCCCN3CCN(CC3)c3cccc4CCCc34)cc12
Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CNC(=O)c3c2)CC1
Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2cc(F)ccc12
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccccc2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc3ccccc3c2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC(CC(C4)C2)C3)nc1 |TLB:15:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,15:17:20:24.23.22|
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CCCC(CCC2)C3)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC2CC(C3)C4)nc1 |TLB:22:21:25.23.24:18,THB:22:23:18:20.21|
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC(CC(Cl)(C4)C2)C3)nc1 |TLB:15:17:20.19.25:22,24:23:20:27.18.17,THB:18:19:22:27.17.26,18:17:20.19.25:22,26:17:20:25.23.22,26:23:20:27.18.17,15:17:20:25.23.22|
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C23CC4CC(CC(O)(C4)C2)C3)nc1 |TLB:15:17:20.19.25:22,24:23:20:27.18.17,THB:18:19:22:27.17.26,18:17:20.19.25:22,26:17:20:25.23.22,26:23:20:27.18.17,15:17:20:25.23.22|
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cccs2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccsc2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccco2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccoc2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc(Br)cs2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Br)s2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sccc2Br)nc1
Cc1csc(c1)C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
Cc1ccc(s1)C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
Cc1ccsc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc(Cl)s2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sccc2Cl)nc1
CSc1ccc(s1)C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
COc1cscc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
COc1c(Br)scc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
COc1c(Cl)scc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2csc3ccccc23)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3ccccc3s2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2coc3ccccc23)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3ccccc3o2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cnn3ccccc23)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3ccccn3n2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)C2=Cc3ccccc3[Te]2)nc1 |t:18|
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccc3[nH]ccc3c2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2scc3CCCCc23)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sc(Br)c3OCCOc23)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3sccc3s2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2cc3ccsc3s2)nc1
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2sc3sccc3c2Cl)nc1
CN(Cc1ccc(C)cn1)CC1(F)CCN(CC1)C(=O)c1ccc(F)c(Cl)c1
Cc1ccc(CNCC2(O)CCN(CC2)C(=O)c2ccc(F)c(Cl)c2)nc1
Cc1ccc(CNCC2(O)C[C@H]3CC[C@H](C2)N3C(=O)c2ccccc2)nc1 |r,TLB:7:8:12.13:16,THB:9:8:12.13:16|
Cc1ccc(CNCC2(O)CC3CCC(C2)N3C(=O)c2ccsc2)nc1 |TLB:7:8:12.13:16,THB:9:8:12.13:16|
Cc1ccc(CNCC2(O)CC3CCC(C2)N3C(=O)c2ccc(F)c(Cl)c2)nc1 |TLB:7:8:12.13:16,THB:9:8:12.13:16|
COc1ccc2nc(NCCCCN3CCN(CC3)c3ccccc3OC)ccc2c1
COc1ccccc1N1CCN(CCCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CCN4CCN(CC4)c4ccccc4OC)c3)c2)CC1
CCCCCN1CCN(CC1)c1ccccc1OC
CCN(CC)c1ccc2cc(\C=C\C3=[N+](CCCCCC(=O)Oc4cccc(CCN5CCN(CC5)c5ccccc5OC)c4)c4ccccc4C3(C)C)c(=O)oc2c1 |c:13|
[#6]-[#8]-c1ccccc1-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(cc2)\[S+]=[#6]2\[#6](\[#6]-[#6]-[#6]\[#6]\2=[#6]/[#6]=[#6]2/[#7](-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O)-c3ccccc3C2([#6])[#6])=[#6]\[#6]=[#6]2\[#7](-[#6]-[#6]-[#6]-[#6]S([#8-])(=O)=O)-c3ccccc3C2([#6])[#6])-[#6]-[#6]-1
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1ccccc1
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1n[nH]c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
CC(C)n1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
CC(C)Cn1nc(c2cc(ccc12)N1CCNCC1)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1nn(Cc2ccccc2)c2ccc(cc12)N1CCNCC1)c1cccc2ccccc12
CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
C1NCC1Oc1ccccc1Oc1ccccc1
Fc1ccccc1Oc1ccccc1OC1CNC1
Fc1ccccc1Oc1cccc(F)c1OC1CNC1
Fc1cccc(Oc2ccccc2Cl)c1OC1CNC1
Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CNC1
Cc1cccc(F)c1Oc1cccc(F)c1OC1CNC1
Fc1cccc(Oc2c(Cl)cccc2Cl)c1OC1CNC1
Cc1cccc(Cl)c1Oc1cccc(F)c1OC1CNC1
Fc1cccc(Oc2cccc(Cl)c2Cl)c1OC1CNC1
Fc1ccccc1Oc1ccccc1OC1CCNCC1
Fc1ccccc1Oc1cccc(F)c1OC1CCNCC1
Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNCC1
Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNCC1
Fc1ccccc1Oc1cccc(F)c1OC1CCCNC1
Fc1ccccc1Oc1ccccc1OC1CCNC1
Fc1ccccc1Oc1cccc(F)c1OC1CCNC1
Fc1cccc(Oc2ccccc2Cl)c1OC1CCNC1
Cc1cccc(F)c1Oc1cccc(F)c1OC1CCNC1
Fc1cccc(Oc2c(F)cccc2Cl)c1OC1CCNC1
Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@H]1CCNC1 |r|
Fc1cccc(Oc2c(F)cccc2Cl)c1O[C@@H]1CCNC1 |r|
Fc1cccc(Cl)c1Oc1ncccc1OC1CCNC1
Fc1cccc(Cl)c1Oc1ncccc1OC1CNC1
CN1CCN(CC1)c1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1ccc2ccccc2c1
CN1CCN(CC1)c1cccc2N(CCC(=O)c12)S(=O)(=O)c1ccc2ccccc2c1
CC1CC(=O)c2ccc(cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
CC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
CCC1CC(=O)c2c(cccc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
CC1CC(=O)c2c(cc(C)cc2N1S(=O)(=O)c1ccc2ccccc2c1)N1CCN(C)CC1
O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1cccc2ccccc12
Clc1cccc(c1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(NC3CCNCC3)cc12
O=S(=O)(c1n[nH]c2ccc(NC3CCNCC3)cc12)c1ccc2ccccc2c1
NCCC(=O)Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
O=C(Nc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
O=c1c(-c2ccccc2)c2CCCCn2c(=O)n1CCCCN1CCC(CC1)c1c[nH]c2ccccc12
Clc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O |(.87,-34.6,;-.47,-35.37,;-1.8,-34.61,;-1.81,-33.06,;-3.14,-32.29,;-4.47,-33.06,;-4.47,-34.61,;-3.14,-35.38,;-3.15,-36.91,;-4.48,-37.68,;-5.81,-36.91,;-7.14,-37.67,;-7.14,-39.21,;-5.81,-39.98,;-4.49,-39.21,;-3.16,-39.99,;-3.16,-41.53,;-1.82,-39.22,;-.49,-40,;.85,-39.23,;2.18,-40.01,;3.52,-39.24,;4.85,-40.02,;4.84,-41.56,;6.16,-42.33,;7.5,-41.57,;7.51,-40.03,;6.18,-39.25,;8.83,-42.35,;8.98,-43.88,;10.49,-44.21,;11.26,-42.88,;12.76,-42.58,;13.25,-41.13,;12.23,-39.97,;10.73,-40.28,;10.25,-41.73,;-1.81,-37.68,;-.48,-36.91,)|
Fc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccccc23)c1=O
Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(c3CCCCn3c2=O)-c2ccccc2C)CC1 |(33.83,-20.17,;34.98,-19.15,;36.49,-19.48,;37.26,-18.16,;38.76,-17.85,;39.25,-16.4,;38.23,-15.24,;36.73,-15.55,;36.25,-17,;34.83,-17.62,;33.5,-16.84,;32.16,-17.6,;30.84,-16.83,;30.85,-15.29,;29.52,-14.51,;28.18,-15.28,;26.85,-14.5,;25.51,-15.27,;24.18,-14.49,;24.19,-12.95,;25.52,-12.18,;22.85,-12.18,;21.52,-12.95,;20.19,-12.18,;18.86,-12.94,;18.86,-14.48,;20.19,-15.25,;21.51,-14.48,;22.84,-15.26,;22.84,-16.8,;22.86,-10.65,;21.53,-9.88,;21.53,-8.33,;22.86,-7.56,;24.19,-8.33,;24.2,-9.88,;25.53,-10.64,;32.18,-14.52,;33.51,-15.3,)|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCc2cn(CCCCN4CCN(CC4)c4ccccc4OC)nn2)c-31 |r|
CCCN1CCc2cccc-3c2C1Cc1cccc(OCCCCN2CCN(CC2)c2ccccc2OC)c-31
Clc1cccc(N2CCN(CCCCCc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCOc3ccc4ccc(=O)[nH]c4n3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCOc3cc4[nH]c(=O)ccc4cn3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCOc3ncc4ccc(=O)[nH]c4n3)CC2)c1Cl
Clc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
Fc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Cc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1C
Cc1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
Fc1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
FC(F)(F)c1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
FC(F)(F)c1c(Cl)cccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCc34)nc2N1
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCCc34)nc2N1
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4OCCCc34)nc2N1
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4CCCOc34)nc2N1
O=C1CCc2ccc(OCCCCN3CCN(CC3)c3cccc4ccccc34)nc2N1
Fc1ccc2ccccc2c1N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
Fc1cc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c2ccccc2c1
Fc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c2ccccc12
Fc1cccc2c(cccc12)N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
Fc1ccc2c(cccc2c1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3n2)CC1
Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c2c1
Fc1cccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c12
COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc(cc2)-c2ccccn2)CC1
FC(CCNC(=O)c1ccc(cc1)-c1ccccn1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1
FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
COc1ccc2oc(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
FC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(F)CCNC(=O)c2ccc-3c(Cc4ccccc-34)c2)CC1
FC(CCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3s2)CC1
FC(CCNC(=O)c1cc2ccccc2s1)CN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccc2[nH]c(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(I)(C4)C2)C3)c2ccccn2)CC1 |TLB:24:23:18:27.21.20,24:23:27:19.18.20,25:23:27:19.18.20,25:19:27:26.23.22,THB:22:21:26.23.25:18|
COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)|
COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1
Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(C2)C(I)C(C4)C3)c2ccccn2)CC1 |TLB:19:18:21.20.22:26,THB:23:22:26:17.18.25,22:20:17:24.26.25,22:24:17:21.20.19,(-5.82,-35.6,;-6.58,-36.94,;-8.13,-36.95,;-8.89,-38.28,;-8.12,-39.61,;-6.58,-39.61,;-5.81,-38.27,;-4.27,-38.27,;-3.5,-39.6,;-1.97,-39.6,;-1.2,-38.27,;.34,-38.27,;1.11,-36.94,;2.65,-36.94,;3.42,-35.61,;4.96,-35.61,;2.65,-34.27,;3.99,-33.74,;3.34,-31.94,;3.75,-30.19,;2.67,-31.61,;3.43,-32.94,;1.13,-31.6,;.37,-30.27,;.36,-32.93,;1.83,-31.94,;1.12,-34.27,;3.42,-38.27,;4.95,-38.27,;5.71,-39.61,;4.94,-40.94,;3.4,-40.93,;2.64,-39.6,;-1.97,-36.94,;-3.51,-36.93,)|
Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)|
Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)CC3)c2ccccn2)CC1
Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCC12CCCN1C(=O)N(CCCCN1CCN(CC1)c1cccc3ccccc13)C2=O
COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCC12CCCN1C(=O)N(CCCCN1CCN(CC1)c1cccc3ccccc13)C2=O
COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCNCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
CN(C)S(=O)(=O)c1cccc2c(cccc12)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
CN(C)S(=O)(=O)c1ccc2c(cccc2c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
CN(C)S(=O)(=O)c1ccc2cccc(N3CCN(CCCCn4c(O)c5CCCn5c4=O)CC3)c2c1
O=c1n(CCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
O=c1n(CCCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1cccc2ccccc12 |c:6|
N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccn1 |w:4.4|
O=c1n(OCCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
O=c1n(OCCCN2CCN(CC2)c2cccc3ccccc23)nnc2ccccc12
N#CNC(=NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1 |w:4.4|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)NCC)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)NCc2ccccc2)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCCC2CCSS2)c-31 |r|
CCCN1CCc2cccc-3c2C1Cc1cccc(O)c-31
CCCNC(=O)Oc1cccc2CC3N(CCC)CCc4cccc(c34)-c12
CCCNC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
CCCCNC(=O)Oc1cccc2CC3N(CCC)CCc4cccc(c34)-c12
CCCCNC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
CCCN1CCc2cccc-3c2C1Cc1cccc(OC(=O)NC(C)(C)C)c-31
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)NC(C)(C)C)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@H]2CCSS2)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(N)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(NC(=O)CCC)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(NC(=O)CCCCC2CCSS2)c-31 |r|
CCCN1CCc2cccc-3c2C1Cc1cccc(OC(=O)Nc2cccc4ccccc24)c-31
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCC[C@@H]2CCSS2)c-31 |r|
Clc1ccccc1N1CCN(CCn2cnc3c4ccccc4ncc3c2=O)CC1
Clc1cccc(c1)N1CCN(CCn2cnc3c4ccccc4ncc3c2=O)CC1
COc1ccccc1N1CCN(CCn2cnc3c4ccccc4ncc3c2=O)CC1
Cc1ccccc1N1CCN(CCn2cnc3c4ccccc4ncc3c2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCn2cnc3c4ccccc4ncc3c2=O)CC1
O=c1n(CCCN2CCN(CC2)c2ccccc2)cnc2c3ccccc3ncc12
Clc1ccccc1N1CCN(CCCn2cnc3c4ccccc4ncc3c2=O)CC1
Clc1cccc(c1)N1CCN(CCCn2cnc3c4ccccc4ncc3c2=O)CC1
COc1ccccc1N1CCN(CCCn2cnc3c4ccccc4ncc3c2=O)CC1
COc1cccc(c1)N1CCN(CCCn2cnc3c4ccccc4ncc3c2=O)CC1
Fc1ccccc1N1CCN(CCCn2cnc3c4ccccc4ncc3c2=O)CC1
Fc1ccc(cc1)N1CCN(CCCn2cnc3c4ccccc4ncc3c2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCn2cnc3c4ccccc4ncc3c2=O)CC1
O=c1n(CCCN2CCN(CC2)c2ccc(cc2)-c2ncccn2)cnc2c3ccccc3ncc12
O=c1n(CCCCN2CCN(CC2)c2ccccc2)cnc2c3ccccc3ncc12
Clc1ccccc1N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
Clc1cccc(c1)N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
COc1ccccc1N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
COc1cccc(c1)N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
Fc1ccccc1N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
Cc1ccccc1N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCn2cnc3c4ccccc4ncc3c2=O)CC1
COc1ccccc1N1CCN(CCn2cnc3c4ccc(C)cc4ncc3c2=O)CC1
Cc1ccc2c(c1)ncc1c2ncn(CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1=O
Cc1ccc2c(c1)ncc1c2ncn(CCCN2CCN(CC2)c2ccccc2)c1=O
COc1ccccc1N1CCN(CCCn2cnc3c4ccc(C)cc4ncc3c2=O)CC1
Cc1ccc2c(c1)ncc1c2ncn(CCCCN2CCN(CC2)c2cccc(Cl)c2)c1=O
COc1ccccc1N1CCN(CCCCn2cnc3c4ccc(C)cc4ncc3c2=O)CC1
Cc1ccc2c(c1)ncc1c2ncn(CCCCN2CCN(CC2)c2ccccc2F)c1=O
COc1ccccc1N1CCN(CCn2cnc3c4cc(C)ccc4ncc3c2=O)CC1
Cc1ccc2ncc3c(ncn(CCCN4CCN(CC4)c4ccccc4)c3=O)c2c1
COc1ccccc1N1CCN(CCCn2cnc3c4cc(C)ccc4ncc3c2=O)CC1
Cc1ccc2ncc3c(ncn(CCCCN4CCN(CC4)c4cccc(Cl)c4)c3=O)c2c1
COc1ccccc1N1CCN(CCCCn2cnc3c4cc(C)ccc4ncc3c2=O)CC1
Cc1ccc2ncc3c(ncn(CCCCN4CCN(CC4)c4ccccc4F)c3=O)c2c1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(Oc3ccccc3)cc2)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(Oc3ccccc3)cc2)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(OCc3ccccc3)cc2)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(OCc3ccccc3)cc2)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(OCCOc3ccccc3)cc2)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(OCCOc3ccccc3)cc2)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(c(-c4ccccc4)c3c2=O)-c2ccccc2)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(c(-c4ccccc4)c3c2=O)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCn2c(=O)n(Cc3ccccc3)c3[nH]c(cc3c2=O)-c2ccccc2)CC1
Clc1ccccc1N1CCN(CCn2c(=O)n(Cc3ccccc3)c3[nH]c(cc3c2=O)-c2ccccc2)CC1
COc1ccc(cc1)-c1cc2c([nH]1)n(Cc1ccccc1OC)c(=O)n(CCN1CCN(CC1)c1ccccc1OC)c2=O
COc1ccc(cc1)-c1cc2c([nH]1)n(Cc1ccccc1OC)c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccco2)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccco2)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)C(C)(C)C)CC1
CC(C)(C)c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(c[nH]c3c2=O)-c2ccccc2)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(c[nH]c3c2=O)-c2ccccc2)CC1
Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(c[nH]c3c2=O)-c2ccccc2Cl)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c(c[nH]c3c2=O)-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)-c1c[nH]c2c1[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
Cc1ccc(cc1)-c1c[nH]c2c1[nH]c(=O)n(CCN1CCN(CC1)c1ccccc1Cl)c2=O
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3[nH]c(cc3c2=O)-c2ccc(cc2)-c2ccccc2)CC1
O[C@H]1CN(Cc2ccc(F)cc2)CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1 |r|
COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1
COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1
COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r|
Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
Nc1nc(Br)ncc1-c1c[nH]c2cccc(O)c12
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
COc1cccc2[nH]cc(-c3ccnc(N)n3)c12
Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccc(F)cc12 |w:2.1|
Clc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15|
O=C1Nc2ccccc2C1CCCCN1CCN(CC1)c1ccccc1
Fc1ccc2NC(=O)C(CCCCN3CCN(CC3)c3ccccc3)c2c1 |w:8.8|
CCC1(CCCCN2CCN(CC2)c2ccccc2OC)C(=O)Nc2ccccc12 |w:2.1|
CCC1(CCCCN2CCN(CC2)c2ccccc2Cl)C(=O)Nc2ccccc12 |w:2.2|
Clc1cccc(c1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15|
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2ccccc12 |w:2.1|
Fc1ccc2C(CCCCN3CCN(CC3)c3cccc(Cl)c3)C(=O)Nc2c1
CCC1(CCCCN2CCN(CC2)c2cccc(Cl)c2)C(=O)Nc2c1cc(Cl)c(F)c2Cl
CCC1(CCCCN2CCN(CC2)c2cccc(F)c2)C(=O)Nc2ccccc12
CCC1(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)Nc2ccccc12
O=C1Nc2ccccc2C1CCCCN1CCN(CC1)c1ccccn1
CCC1(CCCCN2CCN(CC2)c2ccccn2)C(=O)Nc2ccccc12
Fc1ccc2C(CCCCN3CCN(CC3)c3ccccn3)C(=O)Nc2c1
FC(F)(F)c1cccc(c1)C1=CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |t:11|
Fc1ccc2NC(=O)C(CCCCN3CCC(=CC3)c3cccc(c3)C(F)(F)F)c2c1 |c:16|
CCC1(CCCCN2CCC(=CC2)c2cccc(Cl)c2)C(=O)Nc2ccc(F)cc12 |c:10|
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccccc1 |w:2.1,c:17|
COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1 |TLB:28:17:26:20.21.22,15:17:26:20.21.22,THB:24:23:18:20.28.21,28:21:18.17.27:26,22:21:18:27.23.26,22:23:18:20.28.21|
COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(35.86,-1.26,;36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(CC(CF)(C4)C2)C3)c2ccccn2)CC1 |TLB:27:16:25:19.20.21,14:16:25:19.20.21,THB:23:22:17:19.27.20,27:20:17.16.26:25,21:20:17:26.22.25,21:22:17:19.27.20|
Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
Oc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3cccnc23)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3cccnc23)CC1
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cnc2ccccc2c1
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ncccc2c1
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1cccc2cccnc12
O=S(=O)(NCCCCN1CCc2sccc2C1)c1cnc2ccccc2c1
O=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1
O=S(=O)(NCCCCN1CCC2CCCCC2C1)c1cnc2ccccc2c1
O=S(=O)(NCCCN1CCC2CCCCC2C1)c1ccc2ncccc2c1
O=S(=O)(NCCCCN1CCC2CCCCC2C1)c1cccc2cccnc12
CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1cnc2ccccc2c1
CCN(CCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc2ncccc2c1
CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1ccc2ncccc2c1
CCN(CCCCN1CCN(CC1)c1ccccc1OC)S(=O)(=O)c1cccc2cccnc12
CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cnc2ccccc2c1
CCN(CCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12
CCN(CCCCCN1CCC2CCCCC2C1)S(=O)(=O)c1cccc2cccnc12
Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Oc1csc(=O)n1CCCCCCNCC1CCc2ccccc2O1
Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1Cc1cccc(CNCC2CCc3ccccc3O2)c1
Oc1c2CCCn2c(=O)n1Cc1ccc(CNCC2CCc3ccccc3O2)cc1
Oc1c2CCCn2c(=O)n1CC#CCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1C\C=C/CNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCNCC1CCc2ccccc2O1
Oc1csc(=O)n1CCCCNCC1CCc2ccccc2O1
Oc1c2CSCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Oc1c2CCSn2c(=O)n1CCCCNCC1CCc2ccccc2O1
O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCCN12
O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCN12
Oc1c2CCCCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCCNCCc1ccccn1
Oc1c2CCCn2c(=O)n1CCCCNCc1ccccn1
Oc1c2CCCn2c(=O)n1CCCCNCCc1cccs1
Oc1c2CCCn2c(=O)n1CCCCNCc1cccs1
Oc1c2CCCn2c(=O)n1CCCCNCCc1ccco1
Oc1c2CCCn2c(=O)n1CCCCNCc1ccco1
Oc1c2CCCn2c(=O)n1CCCCNCCc1ccccc1
Oc1c2CCCn2c(=O)n1CCCCNCc1ccccc1
Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|
Oc1c2CCCn2c(=O)n1CCCCNC[C@H]1CCc2ccccc2O1 |r|
Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2n1
Oc1c2CCCn2c(=O)n1CCCCNCCc1ccc2ccccc2c1
Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2c1
Oc1c2CCCn2c(=O)n1CCCCNCCc1cccc2ccccc12
Oc1c2CCCn2c(=O)n1CCCCNCc1cccc2ccccc12
O=C1N(CCCCNCC2CCc3ccccc3O2)S(=O)(=O)c2ccccc12
COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:15.15|
CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:16.16|
N#CNC(=NCCCN1CCN(CC1)c1ccccc1C#N)c1ccccn1 |w:4.4|
Cc1cccc(N2CCN(CCCN=C(NC#N)c3ccccn3)CC2)c1C |w:13.12|
Clc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:14.14|
Clc1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:14.14|
FC(F)(F)c1cccc(c1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1 |w:17.17|
N#CNC(=NCCCN1CCN(CC1)c1ncccn1)c1ccccn1 |w:4.4|
N#CNC(=NCCCN1CCN(CC1)c1ccccn1)c1ccccn1 |w:4.4|
N#CNC(=NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccn1 |w:4.4|
O=C(N1CCN(CCCN=C(NC#N)c2ccccn2)CC1)c1ccco1 |w:9.8|
OC1(CCN(CCCCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Fc1ccc(SCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(OCCCN2CCC(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(cc1)S(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
C(COc1ccccc1)CN1CCN(CC1)c1ccccc1
Fc1ccc(CCCCN2CCN(CC2)c2ncccn2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ncccn2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O
[O-][N+](=O)c1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CCCC2=O)CC1
CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O
[O-][N+](=O)c1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2cc(ccc2n1)[N+]([O-])=O
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3cc(ccc3n2)[N+]([O-])=O)C(=O)C1
[O-][N+](=O)c1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3c(Cl)cccc3n2)C(=O)C1
CC(=O)Nc1ccc2nc(ccc2c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
CC1CN(CCN1CCCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
O=C1N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)c2ccccc12
CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2ccccc2n1
CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2ccccc2n1
CC1CN(CCN1CCCCN1C(=O)CC(C)(C)CC1=O)c1ccc2ccccc2n1
OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cncc3ccccc23)CC1
Clc1ccc(cc1)N1CCN(CCC2CCN(CC2)S(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1ccc(cc1)N1CCN(CC2CCN(CC2)S(=O)(=O)c2ccc3cccnc3c2)CC1
Clc1ccc(cc1)N1CCN(CC2CCN(CC2)S(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2cccc3ccccc23)CC1
Clc1ccc(cc1)N1CCN(CCCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1ccc(cc1)N1CCN(CCCCNS(=O)(=O)c2cncc3ccccc23)CC1
Clc1ccc(cc1)N1CCN(CCCCNS(=O)(=O)c2ccc3cccnc3c2)CC1
Clc1ccc(cc1)N1CCN(CCCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
Clc1ccc(cc1)N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2cccc3cccnc23)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2cnc3ccc(Cl)cc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
Clc1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2cncc3ccccc23)CC1
CN1C2CCC1CC(C2)OC(=O)c1cnn2ccccc12 |THB:9:7:1:3.4|
CN1C2CCC1CC(C2)NC(=O)c1cnn2ccccc12 |THB:9:7:1:3.4|
COc1ccccc1-c1cccc(CN2CCN(CC2)c2ncccn2)c1
C(N1CCN(CC1)c1ncccn1)c1cccc2c3ccccc3oc12
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccc2F)c1
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccc2)c1
Fc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
C(N1CCN(CC1)c1ncccn1)c1cccc(c1)-c1ccsc1
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cnccn2)c1
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ccccn2)c1
Fc1ccccc1-c1cccc(CN2CCN(CC2)c2ncccn2)c1
C(N1CCN(CC1)c1ncccn1)c1cccc2Cc3ccccc3-c12
COc1cccc(c1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
C(N1CCN(CC1)c1ncccn1)c1cccc2c3ccccc3sc12
Fc1cccc(c1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ncccn2)c1
C(C1c2ccccc2-c2ccccc12)N1CCN(CC1)c1ncccn1
C(N1CCN(CC1)c1ncccn1)c1ccc-2c(Cc3ccccc-23)c1
COc1ccc(cc1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
C(N1CCN(CC1)c1ncccn1)c1cccc-2c1Cc1ccccc-21
CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1
Fc1ccc(cc1)N1CCN(Cc2cncc(c2)-c2ccc(F)cc2)CC1
O[C@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
O[C@@H](COc1ccccc1F)CN1CCC2(CC1)OCc1c2ccc2ccccc12
O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
C(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
CCc1cccc(OC[C@@H](O)CN2CCC3(CC2)OCc2c3ccc3ccccc23)c1
OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
OC(COc1ccc(F)c2CCC(=O)c12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
OC(COc1ccc(F)c2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
OC(COc1cc(F)cc2CCCOc12)CN1CCC2(CC1)OCc1c2ccc2ccccc12
O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23|
Fc1cccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23|
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23|
O=C(N[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
Clc1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:21:24:16.17.18,22:17:24:23.21.20,THB:20:21:16:24.19.18,20:19:16:23.21.22|
[H][C@@]1(CCN(CCc2ccc(F)cc2)C1)NC(=O)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:28:20:30:29.26.25,28:26:30:19.20.22,22:23:29:19.20.28,THB:22:20:29:30.23.25|
O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24|
O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:25:24:27:19.20.21,25:20:27:26.24.23,THB:23:24:19:27.22.21,23:22:19:26.24.25|
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)c1ccccc1
O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1
O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:18:19:23:16.17.22,THB:20:19:16:23.21.22,20:21:16:24.19.18,18:17:23:24.19.20|
[H][C@]1(CCN(CCc2ccc(F)cc2)C1)NC(=O)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:28:20:30:29.26.25,28:26:30:19.20.22,22:23:29:19.20.28,THB:22:20:29:30.23.25|
FC(F)(F)c1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:26:19.20.25,25:24:27:19.20.21,25:20:27:26.24.23,THB:21:20:26:27.22.23|
Fc1ccccc1CCN1CCC(C1)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24|
O=C(N[C@H]1CCN(CCc2ccccc2)C1)c1ccccc1
COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(O)=O)c1
COc1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23|
O=C(NC1CCN(CCc2ccc(cc2)C#N)C1)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:19.20.25,THB:23:24:19:27.22.21,23:22:19:26.24.25,21:20:26:27.22.23|
C([C@H]1CNC(=N1)c1ccccc1)N1CCN(CC1)c1ccccc1 |c:4|
N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
C(N1CCN(CC1)c1ccccc1)c1cc(c[nH]1)-c1ccccc1
N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
C#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Cc1nn2c(cccc2c1CN1CCN(CC1)c1ccc(Cl)cc1)C#N
Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#N)CC1
CCN(C)C1CCCc2ccncc12
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@@H]1C
CCCN(CCC)[C@H]1Cc2c(O)cccc2C[C@H]1C
O=C1C2C(C3C=CC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5|
Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:22,(24.8,-19.63,;24.8,-18.1,;26.15,-17.34,;26.15,-15.8,;24.83,-15.02,;23.51,-15.79,;23.49,-17.33,;22.17,-15,;20.83,-15.77,;19.52,-15,;19.52,-13.48,;18.2,-12.72,;16.86,-13.48,;15.53,-12.72,;14.2,-13.48,;12.88,-12.72,;12.69,-11.19,;13.85,-10.15,;11.21,-10.86,;10.42,-12.2,;8.88,-12.21,;10.2,-11.43,;9.11,-10.35,;10.44,-9.52,;8.88,-9.52,;7.54,-8.75,;6.77,-10.09,;8.11,-10.87,;11.44,-13.33,;11.15,-14.84,;20.85,-12.69,;22.17,-13.46,)|
O=C1C2C(C3CCC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1
O=C1C2C(C3C=CC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1cnccn1 |c:5|
O=C1C2C3CCC(C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
O=C1C2C(C3CCC2C2CC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |THB:1:2:6.5:10.8,9:10:6.5:2.3,9:8:6.5:2.3|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:25|
O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C23C4CC(C=C4)C12C1CC3C=C1 |c:27,37,TLB:1:27:23:25.26,1:27:29:31.32,19:21:23:25.26,19:21:29:31.32,(-1.53,1.64,;-2.57,.98,;-3.71,1.52,;-4.21,2.97,;-3.19,4.13,;-3.69,5.59,;-2.68,6.75,;-3.17,8.21,;-2.16,9.37,;-2.66,10.83,;-4.17,11.12,;-5.18,9.96,;-4.68,8.51,;-4.67,12.58,;-3.66,13.74,;-4.16,15.2,;-5.68,15.49,;-6.69,14.33,;-6.18,12.87,;-4.37,.07,;-5.4,-.01,;-3.27,-1.59,;-1.93,-1.23,;-1.64,1,;-1.23,,;.11,-.39,;-.57,-1.59,;-2.57,-.39,;-4.3,-.86,;-5.66,-.5,;-5,-2.02,;-4.96,-3.71,;-4.27,-2.5,)|
Clc1nccnc1N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CCC43)C2=O)CC1 |c:22,(26.79,-15.91,;25.45,-16.69,;25.45,-18.23,;24.13,-19,;22.79,-18.23,;22.81,-16.69,;24.14,-15.92,;21.47,-15.91,;20.13,-16.68,;18.81,-15.91,;18.81,-14.37,;17.5,-13.6,;16.15,-14.37,;14.82,-13.6,;13.49,-14.37,;12.16,-13.6,;11.98,-12.07,;13.13,-11.05,;10.49,-11.75,;9.7,-13.1,;8.16,-13.1,;9.48,-12.33,;8.38,-11.24,;9.72,-10.41,;8.16,-10.43,;6.81,-9.66,;6.04,-10.98,;7.39,-11.75,;10.73,-14.22,;10.43,-15.73,;20.15,-13.6,;21.47,-14.37,)|
COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:23,THB:26:27:23.22:19.20,26:25:23.22:19.20,28:20:23.22:27.25|
O=C1C2C(C3C=CC2C2CC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,THB:1:2:6.5:10.8,9:10:6.5:2.3,9:8:6.5:2.3|
O=C1N(CCCCN2CCN(CC2)c2cnccn2)C(=O)C23C4CC(C=C4)C12C1CC3C=C1 |c:27,37,TLB:1:27:23:25.26,1:27:29:31.32,19:21:23:25.26,19:21:29:31.32,(-1.53,1.64,;-2.57,.98,;-3.71,1.52,;-4.21,2.97,;-3.19,4.13,;-3.69,5.59,;-2.68,6.75,;-3.17,8.21,;-2.16,9.37,;-2.66,10.83,;-4.17,11.12,;-5.18,9.96,;-4.68,8.51,;-4.67,12.58,;-3.66,13.74,;-4.16,15.2,;-5.68,15.49,;-6.69,14.33,;-6.18,12.87,;-4.37,.07,;-5.4,-.01,;-3.27,-1.59,;-1.93,-1.23,;-1.64,1,;-1.23,,;.11,-.39,;-.57,-1.59,;-2.57,-.39,;-4.3,-.86,;-5.66,-.5,;-5,-2.02,;-4.96,-3.71,;-4.27,-2.5,)|
Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCC3C=C4)C2=O)CC1 |c:27,TLB:27:19:26.25:22.23.21,THB:16:18:26.25:22.23.21|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3C=CC43)C2=O)CC1 |c:25,30|
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3C=CC43)C2=O)CC1 |c:22,27,(27.22,-15.51,;25.9,-16.29,;25.9,-17.83,;24.56,-18.6,;23.24,-17.83,;23.25,-16.29,;24.56,-15.53,;21.9,-15.51,;20.58,-16.28,;19.24,-15.51,;19.26,-13.98,;17.93,-13.21,;16.6,-13.98,;15.27,-13.21,;13.94,-13.98,;12.61,-13.21,;12.44,-11.68,;13.57,-10.65,;10.94,-11.36,;10.16,-12.7,;8.6,-12.7,;9.94,-11.94,;8.85,-10.85,;10.17,-10.01,;8.6,-10.03,;7.28,-9.26,;6.51,-10.59,;7.83,-11.36,;11.19,-13.83,;10.88,-15.33,;20.59,-13.21,;21.93,-13.98,)|
O=C1C2C(C3C=CC2C2C=CC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,10|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:25,THB:28:29:25.24:21.22,28:27:25.24:21.22,30:22:25.24:29.27|
O=C1C2C3CC(C=C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6|
O=C1C2C(C3CCCC2C=C3)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:10,TLB:1:2:7.6.5:10.9,THB:11:3:7.6.5:10.9|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4CCC3C3CC43)C2=O)CC1 |THB:28:29:25.24:21.22,28:27:25.24:21.22,30:22:25.24:29.27|
Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCC3CCC4)C2=O)CC1 |TLB:16:18:21.22:25.24.26,THB:27:19:21.22:25.24.26|
O=C1C2C(C3CCC2CCC3)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |TLB:11:3:8.9.10:5.6,THB:1:2:8.9.10:5.6|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4CCC3CCC4)C2=O)CC1 |TLB:19:21:27.28.29:24.25,THB:30:22:27.28.29:24.25|
Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCC3C3CCC43)C2=O)CC1
Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4CCCCC3C=C4)C2=O)CC1 |c:28,(24.8,-19.6,;24.8,-18.06,;26.15,-17.31,;26.15,-15.77,;24.83,-14.99,;23.51,-15.76,;23.49,-17.3,;22.17,-14.97,;20.83,-15.74,;19.52,-14.97,;19.52,-13.45,;18.2,-12.68,;16.86,-13.45,;15.53,-12.68,;14.2,-13.45,;12.88,-12.68,;12.69,-11.16,;13.85,-10.12,;11.21,-10.83,;10.42,-12.17,;8.88,-12.18,;8.11,-10.84,;6.77,-10.06,;7.54,-8.72,;8.88,-9.49,;10.44,-9.49,;9.11,-10.31,;10.2,-11.38,;11.44,-13.3,;11.15,-14.81,;20.85,-12.66,;22.17,-13.43,)|
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:22,(21.6,-11.25,;20.27,-12.02,;20.27,-13.58,;18.94,-14.33,;17.62,-13.56,;17.63,-12.02,;18.94,-11.25,;16.28,-11.25,;14.96,-12.02,;13.62,-11.25,;13.64,-9.72,;12.31,-8.95,;10.99,-9.72,;9.65,-8.95,;8.33,-9.72,;6.99,-8.95,;5.57,-9.58,;5.26,-11.06,;4.55,-8.43,;5.33,-7.09,;4.56,-5.77,;3.23,-6.58,;4.32,-7.67,;2.99,-8.46,;2.22,-7.11,;1.45,-5.77,;2.99,-5.77,;6.82,-7.43,;7.95,-6.38,;14.97,-8.95,;16.3,-9.72,)|
COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3C=CC43)C2=O)CC1 |c:23,28|
O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C23C4CCC(C4)C12C1CCC3C1 |THB:1:27:23.24:26,1:27:29.30:32,19:21:23.24:26,19:21:29.30:32,(-1.53,1.64,;-2.57,.98,;-3.71,1.52,;-4.21,2.97,;-3.19,4.13,;-3.69,5.59,;-2.68,6.75,;-3.17,8.21,;-2.16,9.37,;-2.66,10.83,;-4.17,11.12,;-5.18,9.96,;-4.68,8.51,;-4.67,12.58,;-3.66,13.74,;-4.16,15.2,;-5.68,15.49,;-6.69,14.33,;-6.18,12.87,;-4.37,.07,;-5.4,-.01,;-3.27,-1.59,;-1.93,-1.23,;-.57,-1.59,;.11,-.39,;-1.23,,;-1.64,1,;-2.57,-.39,;-4.3,-.86,;-4.27,-2.5,;-4.96,-3.71,;-5,-2.02,;-5.66,-.5,)|
Clc1nccnc1N1CCN(CCCCN2C(=O)C3C(C4CCC3C3CC43)C2=O)CC1
Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:22,(25.81,-7.96,;25.81,-6.42,;27.16,-5.67,;27.18,-4.13,;25.84,-3.34,;24.52,-4.11,;24.5,-5.65,;23.18,-3.34,;23.18,-1.81,;21.86,-1.04,;20.52,-1.81,;19.21,-1.04,;17.86,-1.81,;16.54,-1.04,;15.2,-1.81,;13.88,-1.04,;12.45,-1.67,;12.15,-3.17,;11.42,-.52,;12.21,.82,;11.44,2.15,;10.11,1.34,;11.2,.25,;9.88,-.54,;9.11,.8,;8.33,2.15,;9.88,2.15,;13.7,.48,;14.85,1.53,;20.52,-3.34,;21.84,-4.11,)|
CN(C)CCCCc1ccccc1
CNCCCOc1ccccc1
CN(CCOc1cccc2ccccc12)Cc1ccccc1
CCCN(CCC)CCCOc1cccc2ccccc12
CCCCN(CCCC)CCOc1cccc2ccccc12
CCCCN(CCCC)CCCOc1cccc2ccccc12
CCCCN(CC)CCCc1cccc2ccccc12
CN(C)CCCCOc1cccc2ccccc12
CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12
CN(C)Cc1cccc2ccccc12
CCCN(C)CCOc1cccc2ccccc12
CCCCN(CC)CCCC1CCCc2ccccc12
CN(C)CCCOc1ccccc1O
CN(C)CCCOc1ccccc1
CCCCN(CC)CCOc1cccc2ccccc12
CCCN(CCC)CCCOc1ccccc1
NCCOc1cccc2ccccc12
CN(C)CCOc1cccc2ccccc12
CN(C)CCCOc1cccc2ccccc12
CN(C)CCCNc1ccccc1
CCCCN(CC)CCC(=O)c1cccc2ccccc12
COc1ccccc1OCCCN(C)C
O=C1C2C(C3C=CC2C2C=CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:22,(13.95,-8.09,;13.19,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.68,-10.36,;11.66,-9.17,;9.17,-10.08,;8.64,-8.66,;7.12,-8.38,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.94,;-6.68,-9.92,;-5.21,-9.4,;-1.06,-9.65,;-2.02,-8.44,;.13,-8.7,;6.66,-11.01,;8.17,-11.27,)|
O=C1C2C3CCC(C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
O=C1C2C(C3CCC2C2CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:25,(15.77,-8.73,;14.27,-8.35,;14.27,-6.8,;15.61,-7.56,;13.2,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.69,-10.36,;11.66,-9.17,;9.17,-10.09,;8.18,-11.28,;6.66,-11.01,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.92,;-6.68,-9.95,;-5.24,-9.41,;-1.06,-9.66,;.13,-8.7,;-2.02,-8.44,;7.12,-8.38,;8.64,-8.66,)|
O=C1N(CCCCN2CCN(CC2)c2cnccn2)S(=O)(=O)c2ccccc12
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1
Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3S2(=O)=O)CC1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3S2(=O)=O)CC1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1
O=C1C2C3CC(C=C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3S2(=O)=O)CC1
Cc1cc2c(nccc2o1)N1CCN(CCCCN2C(=O)CC(C)(C)CC2=O)CC1
Cc1cc2c(nccc2o1)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
O=C1CSCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
O=C1CCCC(=O)N1CCCCN1CCN(CC1)c1nccc2sccc12
CC1CC(=O)N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)C1
O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)C(=O)c2ccccc12
O=C1N(CCCCN2CCN(CC2)c2nccc3sccc23)S(=O)(=O)c2ccccc12
OC(CCCN1CCN(CC1)c1nccc2occc12)c1ccc(F)cc1
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2nccc3occc23)C(=O)C1
Cn1ccc2c(nccc12)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1
Cc1cc2c(nccc2o1)N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1
CCCN1CCc2cccc-3c2[C@H]1Cc1c(OC)ccc(OC)c-31
COc1ccc(OC)c-2c1C[C@H]1N(C)CCc3cccc-2c13
Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
Cc1ccc2[C@H](CN)O[C@@H](Cc2c1O)C1CCCCC1
NC[C@@H]1O[C@@H](Cc2c(O)c(Br)ccc12)c1ccccc1
Br.CCCN(CCC)[C@H]1C[C@H]1c1ccccc1O |r|
Br.CCCN(CCC)[C@H]1C[C@H]1c1cccc(O)c1 |r|
CCCN1CCC[C@@H]2[C@@H]1CCc1cccc(O)c21
CCCN1CCC[C@H]2Cc3cccc(O)c3C[C@@H]12
CCCN1CCC[C@@H]2Cc3cccc(O)c3C[C@@H]12
CCCN(CCC)[C@@H]1C[C@@H]1c1cccc(O)c1 |r|
CCCN1CCC[C@H]2[C@H]1CCc1cccc(O)c21
CCCN1CCC[C@H]2Cc3cccc(O)c3C[C@H]12
CCCN1CCC[C@@H]2Cc3cccc(O)c3C[C@H]12
CCCN(CCC)[C@@H]1Cc2c(O)cccc2C[C@H]1C
CCCN(CCC)C1Cc2c(O)cccc2CC1(C)C
CCCN(CCC)[C@@H]1Cc2c(O)cccc2C[C@@H]1C
CCCN(CCC)C1(C)CCc2cccc(O)c2C1
CCCN(CCC)[C@@H]1C[C@@H]1c1ccccc1O |r|
COc1ccccc1N1CCN(CCCON2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1ccccc1N1CCN(CCCON2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)c1ncccn1
Clc1cccc(c1)N1CCN(CCCON2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1N(OCCCN2CCN(CC2)c2nsc3ccccc23)C(=O)c2ccccc12
CSc1cccc(c1)N1CCN(CCCON2C(=O)CC3(CCCC3)CC2=O)CC1
OC1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)c1nsc2ccccc12
COc1ccccc1N1CCN(CCON2C(=O)CC3(CCCC3)CC2=O)CC1
Cc1ccccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CCCON2C(O)CC3(CCCC3)CC2=O)CC1
Cc1cccc(c1)N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CCCON2CCC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1OCCN1CCN(CC1)c1nsc2ccccc12
Cc1cccc(c1)N1CCN(CCCON2C(=O)CC3(CCCC3)CC2=O)CC1
Clc1cccc(c1)N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1
COc1ccccc1N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)CC3(CCCC3)CC2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1OCCN1CCN(CC1)c1ncccn1
Cc1cccc(N2CCN(CCCON3C(=O)CC4(CCCC4)CC3=O)CC2)c1C
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)C1=NS(=O)(=O)c2ccccc12 |t:25|
O=C1CC2(CCCC2)CCN1OCCCN1CCN(CC1)c1nsc2ccccc12
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)c1nsc2ccccc12
CSc1cccc(c1)N1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1
O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(CC1)c1nc2ccccc2s1
O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)[nH]2)CC1
CCc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
Cn1c(CN2CCN(CC2)c2cccc(Cl)c2)ccc1CN1CCCCC1=O
COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1
CCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)n2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)n2C)CC1
CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
Cl.CCCN(CCC)[C@H]1Cc2cccc3nc(O)n(C1)c23 |r|
CCCN(CCC)C1Cc2cccc3ncn(C1)c23
CCCN(CCC)C1Cc2cccc3nc(SC)n(C1)c23
O=c1[nH]c2cccc3CC(Cn1c23)N(CC1CC1)CC1CC1
CCCN(CCC)C1Cc2cccc3ccn(C1)c23
CCCN(CCC)C1Cc2cccc3[nH]c(=O)n(C1)c23
CCCN(Cc1ccccc1)C1Cc2cccc3[nH]c(=O)n(C1)c23
CCCN(CCC)C1CN2C(=O)NCc3cccc(C1)c23
CCCN(CCC)C1Cc2cccc3oc(=O)n(C1)c23
CCCNC1Cc2cccc3[nH]c(=O)n(C1)c23
CCCN(CCC)C1CN2CCc3cccc(C1)c23
CCCN(CCC)C1Cc2cccc3nc(C)n(C1)c23
CN(C)C1Cc2cccc3[nH]c(=O)n(C1)c23
CCCN(CCC)C1CN2C(=O)CCc3cccc(C1)c23
CCCN(CCC)C1CN2C(=O)Cc3cccc(C1)c23
CCCCN(CCC)C1Cc2cccc3[nH]c(=O)n(C1)c23
C=CCNC1Cc2cccc3[nH]c(=O)n(C1)c23
CCCN(CCC)C1Cc2cccc3ccc(=O)n(C1)c23
CCCN(CCC)C1CN2C(=O)C(=O)c3cccc(C1)c23
CCCN(CCC)C1Cc2cccc3ncc(=O)n(C1)c23
CCCN(CCC)C1CN2C(=O)COc3cccc(C1)c23
CCCN(CCC)C1Cc2cccc3[nH]c(=S)n(C1)c23
CCCN(CCC)C1CN2CCCc3cccc(C1)c23
CCCN(CCC)C1CN2C(=O)CNc3cccc(C1)c23
NC1Cc2cccc3[nH]c(=O)n(C1)c23
CCCN(CCC)C1CN2CC(=O)Nc3cccc(C1)c23
CCCN(CCC)C1Cc2cccc3n(C)c(=O)n(C1)c23
CCCN(CCC)C1CN2C(=O)OCc3cccc(C1)c23
CCCCNC1Cc2cccc3[nH]c(=O)n(C1)c23
O=c1[nH]c2cccc3CC(Cn1c23)NCC1CC1
CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r|
CCCN(CCC)C1Cc2cccc3[nH]c(=O)c(=O)n(C1)c23
C=CCN(CC=C)C1Cc2cccc3[nH]c(=O)n(C1)c23
COc1cccc2CCC3C(CCN3CC=C)c12
[H][C@]12CCc3c(OC)cccc3[C@]1([H])CCN2CCC |r|
[H][C@]12CCc3c(OC)cccc3[C@@]1([H])CCN2CCC |r|
[H][C@]12CCc3c(OC)cccc3[C@@]1([H])CCN2CC=C |r|
CCCN1CCC2Cc3c(CC12)cccc3OC
COc1cccc2CC3C(CCN3CC=C)Cc12
CCCN1CCC2Cc3c(O)cccc3CC12
Oc1cccc2CCC3C(CCN3CC=C)c12
[H][C@]12CCc3c(O)cccc3[C@@]1([H])CCN2CC=C |r|
Oc1cccc2C3CCN(CC=C)C3CCc12
CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](CC3=CCc4cccc2c34)N(C)C1 |t:13|
CCCN1[C@@H](C)C[C@@H]2[C@H]1CCc1cccc(OC)c21
CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C
COc1cccc2C[C@@H]3C(CCN3CC=C)Cc12
CCCN1C[C@@H]2[C@H]1CCc1cccc(OC)c21
[H][C@]12CCc3c(O)cccc3[C@]1([H])CCCN2
CN1C[C@H](CC2[C@H]1Cc1c(Cl)[nH]c3cccc2c13)NC(=O)C(C)(C)C
CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(C1)c23
CN1C[C@H](CC2[C@H]1Cc1c(C)[nH]c3cccc2c13)NC(=O)C(C)(C)C
CCCN1CCC2Cc3c(O)cccc3C[C@@H]12
CCCN1CCC2Cc3c(C[C@@H]12)cccc3OC
CCCN(CCC)[C@H]1CN2CC(=O)Nc3cccc(C1)c23
Oc1cccc2C[C@@H]3C(CCN3CC=C)Cc12
COc1cccc2C[C@@H]3CCN(CC=C)[C@H]3Cc12 |r|
CCCN1[C@H](C)C[C@@H]2[C@H]1CCc1cccc(OC)c21
CCCN1CCC2C1CCc1c(O)cccc21
CCCN(CCC)[C@@H]1Cc2cccc3ccc(=O)n(C1)c23
CCCN(CC1CC1)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
CCCN[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
CCCN(CC1CC1)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
CCCN[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O |r|
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
CCCN(C\C=C\I)C1CCc2cccc(O)c2C1
Oc1cccc2CCC(Cc12)NC\C=C\I
CCCN(C\C=C\I)C1CCc2cccc(OC)c2C1
COc1cccc2CCC(Cc12)NC\C=C\I
CCCN(CCC)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
CCCN(CCC)C1CCc2c(C1)cccc2OS(=O)(=O)C(F)(F)F
CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
CCCN(CCC)C1CCc2c(C1)cccc2OC
CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
CCCN(CCC)C1CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |r|
O=C(NCc1ccc2OCOc2c1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Cl.O=C(NCc1ccc2OCOc2c1)[C@@H]1Cc2c(CN1)sc1ccccc21 |r|
Cl.O=C(NC1CCCCC1)[C@@H]1Cc2c(CN1)sc1ccccc21 |r|
O=C(OC1CCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
O=C(NC1CCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
O=C(NC1CC2CCC1C2)[C@H]1Cc2c(CN1)sc1ccccc21 |THB:2:3:9:7.6|
CC1CCCCC1NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
CC1CCC(CC1)NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r,wU:10.10,(-11.92,3.89,;-10.82,3.25,;-10.82,1.66,;-9.44,.87,;-8.06,1.66,;-8.06,3.25,;-9.44,4.05,;-6.68,.87,;-5.31,1.67,;-5.31,2.94,;-3.92,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
O=C(OC1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
O=C(NN1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
O=C(OC1CCCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
C[C@H](NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21)c1ccccc1 |r|
O=C(NC1CCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
O=C(NCC1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
CCCCCCCNC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
O=C(OC1CCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Cc1ccc(CNC(=O)[C@H]2Cc3c(CN2)sc2ccccc32)cc1 |r|
O=C(NC1CCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
CCC(CC)NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
CCCCCCNC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1Cc2c(CN1)sc1ccccc21 |r,TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:8:7:10.9.11:4,8:9:12.7.6:4|
O=C(Nc1ccccc1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
OC1CCCCC1NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
O=C(NC1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
CC(C)(C)C1CCC(CC1)NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r,wU:13.13,(-13.3,3.41,;-12.2,4.05,;-12.2,5.32,;-13.3,4.68,;-10.82,3.25,;-10.82,1.66,;-9.44,.87,;-8.06,1.66,;-8.06,3.25,;-9.44,4.05,;-6.68,.87,;-5.31,1.67,;-5.31,2.94,;-3.93,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;-2.64,-1.4,;-3.93,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
O=C(NC1CCCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
CCCN1CC[C@H]2Cc3c(O)cccc3C[C@H]12
Oc1cccc2C[C@H]3[C@@H](CCN3CC=C)Cc12
COc1cccc2C[C@H]3[C@@H](CCN3CC=C)Cc12
CCCN1CC[C@H]2Cc3c(C[C@H]12)cccc3OC
[H][C@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCN1C(=O)CC3(CCCC3)CC1=O)C2 |r|
[H][C@@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCC)C2 |r|
[H][C@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCCN1C(=O)CC3(CCCC3)CC1=O)C2 |r|
[H][C@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCC)C2 |r|
[H][C@@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCCN1C(=O)CC3(CCCC3)CC1=O)C2 |r|
[H][C@@]12Cc3cccc(OC)c3[C@]1([H])CCN(CCCN1C(=O)CC3(CCCC3)CC1=O)C2 |r|
COc1cccc2CC3CN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
COc1cccc2CC3CN(CCNC(=O)c4ccc(F)cc4)CCC3c12
COc1cccc2CC3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
COc1cccc2CC3CN(CCCCN4C(=O)C5C(C6C=CC5C5C=CC65)C4=O)CCC3c12 |c:21,26,(-.49,-9.82,;.85,-9.05,;.84,-7.51,;-.49,-6.74,;-.49,-5.2,;.84,-4.42,;2.18,-5.19,;3.64,-4.7,;4.56,-5.95,;6.08,-6.1,;6.71,-7.5,;8.25,-7.66,;8.88,-9.06,;10.41,-9.23,;11.04,-10.63,;12.57,-10.78,;13.83,-9.88,;13.83,-8.34,;15.06,-10.79,;14.57,-12.25,;15.59,-13.39,;16.79,-12.34,;15.46,-11.57,;16.56,-10.49,;17.57,-11.63,;19.03,-12.12,;18.54,-13.57,;17.09,-13.08,;13.03,-12.25,;12.14,-13.5,;5.81,-8.75,;4.28,-8.6,;3.65,-7.2,;2.18,-6.73,)|
COc1ccccc1N1CCN(CCN(C(=O)c2ccccc2I)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(cc2)[N+]([O-])=O)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2cccc(I)c2)c2ccccn2)CC1
CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1
COc1cccc2OCC(Cc12)NCCCCN1C(=O)c2ccccc2C1=O
CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
CCCN(CCCCn1c2ncccc2oc1=O)C1COc2cccc(OC)c2C1
CCCN(CCC)C1COc2ccc3ccccc3c2C1
CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
COc1cccc2OCC(Cc12)NCCCCN1C(=O)CC2(CCCC2)CC1=O
CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1
CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1
CCCN1CCCC2C1CCc1c(OS(=O)(=O)C(F)(F)F)cccc21
[H][C@]12CCN(CC=C)[C@@]1([H])CCc1c(OS(=O)(=O)C(F)(F)F)cccc21 |r|
CCCN1CCC[C@H](C1)c1cccc(NS(=O)(=O)C(F)(F)F)c1
CCCN1CCC[C@H](C1)c1cccc(SC)c1
CCCN1CCC[C@H](C1)c1cccc(OCC(F)(F)F)c1
FC(F)(F)S(=O)(=O)Oc1cccc2C3CCN(CC=C)C3CCc12
CCCN1CCC[C@H](C1)c1cccc(c1)S(C)(=O)=O
CCCN1CCC[C@H](C1)c1ccccc1
N#Cc1cccc(c1)[C@@H]1CCCNC1
CCCN1CCC[C@H](C1)c1cccc(CO)c1
CCCN1CCC[C@H](C1)c1cccc(C)c1
CCCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1
CCCN1CCC[C@H](C1)c1cccc(OS(C)(=O)=O)c1
CC(C)N1CCC[C@H](C1)c1cccc(c1)C#N
CCCN1CCC[C@H](C1)c1cccc(c1)C(N)=O
CCCCN1CCC[C@H](C1)c1cccc(c1)C#N
CCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
CCCN1CCC[C@H](C1)c1cccc(c1)S(=O)(=O)N(C)C
CCCN1CCC[C@H](C1)c1cccc(OC)c1
CCCN1CCC[C@H](C1)c1cccc(c1)C#N
CCCN1CCC[C@H](C1)c1cccc(c1)C(C)=O
C#CCN1CCC[C@H](C1)c1cccc(c1)C#N
CCCN1CCC[C@H](C1)c1cccc(CC#N)c1
N#Cc1cccc(c1)[C@@H]1CCCN(CC2CC2)C1
CCc1sccc1N1CCC[C@H](C1)c1cccc(c1)C#N
CN1CCC[C@H](C1)c1cccc(c1)C#N
CCCN1CCC[C@H](C1)c1cccc(c1)C(=O)OC
CCCN1CCC[C@H](C1)c1cccc(C=O)c1
CCCN1CCC[C@H](C1)c1cccc(c1)C#C
C=CCN1CCC[C@H](C1)c1cccc(c1)C#N
CCCN1CCC[C@H](C1)c1cccc(CCC)c1
CCCN1CCC[C@H](C1)c1ccccc1OS(=O)(=O)C(F)(F)F
CN1CCC[C@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
CCCN1CCC[C@H](C1)c1cccc(c1)-c1ccsc1
CCCN1CCC[C@H](C1)c1cccc(Br)c1
C=CCN1CCC2C1CCc1c(cccc21)C#N
N#Cc1cccc(c1)[C@@H]1CCCN(CCCc2ccccc2)C1
CCN1CCC[C@H](C1)c1cccc(c1)C#N
CCCN1CCC[C@H](C1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
CCCN1CCC[C@H](C1)c1ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c1
NC(=O)c1cccc2C3CCN(CC=C)C3CCc12
CN(C)CCCN1CCC[C@H](C1)c1cccc(c1)C#N
CCCN1CCC[C@H](C1)c1cccc(N)c1
CCCN1CCC[C@H](C1)c1cccc(O)c1
CCCN1CCC2C1CCc1c(OS(=O)(=O)C(F)(F)F)cccc21
CCC(C)N1CCC[C@H](C1)c1cccc(c1)C#N
CCCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
N#Cc1cccc(c1)[C@@H]1CCCN(CCc2ccccc2)C1
C(C1COc2ccccc2O1)N1CCN(CC1)c1cccc2OCCOc12
C(N1CCN(CC1)c1cccc2ccoc12)c1ccccc1
C(Cc1ccccc1)N1CCN(CC1)c1cccc2ccoc12
C(C1COc2ccccc2O1)N1CCN(CC1)c1cccc2ccoc12
C(Cc1ccccc1)N1CCN(CC1)c1cccc2OCCOc12
C(N1CCN(CC1)c1cccc2OCCOc12)c1ccccc1
C(COc1ccccc1)CN1CCN(CC1)c1cccc2ccoc12
C(CN1CCN(CC1)c1cccc2OCCOc12)Oc1ccccc1
C(CN1CCN(CC1)c1cccc2ccoc12)Oc1ccccc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2OCCOc12
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1cccc2ccoc12
O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1
O=C(NCCN1CCN(CC1)c1cccc2OCCOc12)C1CCCCC1
C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12
C(COc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12
O=C(NCCN1CCN(CC1)c1cccc2ccoc12)C1CCCCC1
CCCCCCCc1ccc(cc1)C(=O)N(CCN1CCN(CC1)c1ccccc1OC)c1ccccn1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(CCl)cc2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2cccc(C)c2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(C)cc2)c2ccccn2)CC1
CCCc1ccc(cc1)C(=O)N(CCN1CCN(CC1)c1ccccc1OC)c1ccccn1
COc1ccccc1N1CCN(CCN(C(=O)c2ccccc2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(N)c(I)c2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(N=[N+]=[N-])c(I)c2)c2ccccn2)CC1
CCc1ccc(cc1)C(=O)N(CCN1CCN(CC1)c1ccccc1OC)c1ccccn1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(cc2)C(C)(C)C)c2ccccn2)CC1
CCCCCc1ccc(cc1)C(=O)N(CCN1CCN(CC1)c1ccccc1OC)c1ccccn1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(NC(=O)CCl)cc2)c2ccccn2)CC1
CCCCCCc1ccc(cc1)C(=O)N(CCN1CCN(CC1)c1ccccc1OC)c1ccccn1
CCCCc1ccc(cc1)C(=O)N(CCN1CCN(CC1)c1ccccc1OC)c1ccccn1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc(N)cc2)c2ccccn2)CC1
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
COc1ccccc1C1CCN(CCCCc2c[nH]c3ccccc23)CC1
Fc1ccc(cc1)C1CCN(CCCCc2c[nH]c3ccccc23)CC1
C(CCc1c[nH]c2ccccc12)CN1CCC2(CC1)OCc1ccccc21
Fc1ccc(cc1)C1CCN(CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)CC1
Fc1ccc(cc1)C1=CCN(CCCCc2c[nH]c3ccccc23)CC1 |t:8|
Fc1ccc(cc1)C1=CC2CCC(C1)N2CCCCc1cn(-c2ccc(F)cc2)c2ccccc12 |t:8|
Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
C(CCc1c[nH]c2ccccc12)CN1CCC(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCc2c[nH]c3ccccc23)CC1
Fc1ccc(cc1)N1CCN(CCCCc2cn(-c3ccc(F)cc3)c3ccccc23)CC1
Fc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccccc23)CC1
C(N1CCC2(CCCc3ccccc23)CC1)c1ccccc1
O.CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
O=Cc1c[nH]c2ccc3CCC(Cc3c12)N1CCCC1
CCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CCC)CC1CCc2ccc3[nH]ccc3c2C1
CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CC1CC1)C1CCc2ccc3[nH]ccc3c2C1
CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CN(C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(C)C1CCc2ccc3[nH]cc(C=O)c3c2C1
C1Cc2ccc3[nH]ccc3c2CC1N1CCCCCC1
CCCN(Cc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CCC)CC1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CC=C)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]ccc3c2C1 |r|
CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CC=C)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]ccc3c2C1
O=Cc1c[nH]c2ccc3CCC(Cc3c12)N1CCCCCC1
CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1
CCCN(C)C1CCc2ccc3[nH]ccc3c2C1
CCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCN(CCc1ccccc1)C1CCc2ccc3[nH]ccc3c2C1
C(CNCC1CCc2ccc3[nH]ccc3c2C1)Cc1ccccc1
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CCCNC1CCc2ccc3[nH]ccc3c2C1
CCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
CN(C)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]ccc3c2C1 |r|
CCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
C1CCN(C1)C1CCc2ccc3[nH]ccc3c2C1
NC(=N)NN=Cc1c[nH]c2ccc(O)cc12 |w:4.3|
Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
CN(C)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)CCCCCOc1ccc2[nH]cc(CCN)c2c1
CS(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
CS(=O)(=O)NCc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3CN)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(CN)cc3)cc12
NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccc(NC(=O)c4ccccc4)cc3)cc12
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3[N+]([O-])=O)cc12
NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
NCCc1c[nH]c2ccc(OCCCC(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc12
NCCc1c[nH]c2ccc(OCCCCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
CS(=O)(=O)NCc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O
O=C1CCCCN1Cc1ccc(CN2CCN(CC2)c2cccc3ccoc23)s1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)o2)CC1
CC(C)Oc1ccccc1N1CCN(CCc2ccc(C(=O)C(=O)N3CCCCC3)n2C)CC1
CCCCC(=O)N(C)Cc1ccc(CN2CCN(CC2)c2ccccc2OC)n1C
COc1ccccc1N1CCN(CCc2ccc(CN3CCCCC3=O)n2C)CC1
CC(C)Oc1ccccc1N1CCN(CCc2ccc(C(=O)C(=O)N3CCCCCC3)n2C)CC1
CCCCS(=O)(=O)N(C)Cc1ccc(CN2CCN(CC2)c2ccccc2OC(C)C)n1C
CC(C)Oc1ccccc1N1CCN(CCc2ccc(C(=O)C(=O)N3CCOCC3)n2C)CC1
COc1ccccc1N1CCN(CCc2ccc(C(=O)C(=O)N3CCCCC3)n2C)CC1
COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)o2)CC1
COc1ccccc1N1CCN(Cc2ccc(CN(C)C(C)=O)n2C)CC1
CCCCC(=O)N(C)Cc1ccc(CN2CCN(CC2)c2ccccc2OC(C)C)n1C
COc1ccccc1N1CCN(Cc2ccc(CN(C(C)C)C(C)=O)n2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1
CNC(=O)c1ccc(CN2CCN(CC2)c2ccccc2OC(C)C)n1C
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C(C)C)C(=O)C(C)C)n2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)o2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(cs2)C(=O)N2CCCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(s2)C(=O)N2CCCCC2)CC1
COc1ccccc1N1CCN(Cc2ccc(CN3C(=O)c4ccccc4C3=O)o2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C)C(C)=O)n2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(s2)C(=O)N2CCCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)o2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C)C(=O)C(C)C)n2C)CC1
O=C(N1CCCCC1)c1ccc(CN2CCN(CC2)c2cccc3ccoc23)s1
CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)no2)CC1
CC(C)Oc1ccccc1N1CCN(CCc2ccc(CN3CCCCC3=O)n2C)CC1
COc1ccccc1N1CCN(Cc2ccc(CN(C)S(=O)(=O)C(C)C)n2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C)S(C)(=O)=O)n2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C)S(=O)(=O)C(C)C)n2C)CC1
COc1ccccc1N1CCN(Cc2ccc(CN(C(C)C)C(=O)C3CCCCC3)n2C)CC1
COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)o2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cc(cs2)C(=O)N2CCCCC2)CC1
CCCCS(=O)(=O)N(C)Cc1ccc(CN2CCN(CC2)c2ccccc2OC)n1C
CC(C)Oc1ccccc1N1CCN(CC2CC(CO)=NO2)CC1 |c:20|
CNC(=O)c1ccc(CN2CCN(CC2)c2ccccc2OC)n1C
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C(C)C)C(=O)C3CCCCC3)n2C)CC1
CC(C)Oc1ccccc1N1CCN(CC2CC(CN3CCCCC3=O)=NO2)CC1 |c:27|
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCCCC3=O)o2)CC1
CC(C)NC(=O)c1ccc(CN2CCN(CC2)c2ccccc2OC(C)C)n1C
COc1ccccc1N1CCN(Cc2ccc(CN(C)S(C)(=O)=O)n2C)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(O)c2ccccc2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN(C)C(C)=O)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CNS(C)(=O)=O)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CCCC3=O)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CNC(=O)c3ccccc3)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(Cn3c(O)c[nH]c3=S)c2)CC1
CC(C)C(O)c1cccc(CN2CCN(CC2)c2ccccc2C)c1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(C)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CC(C)CC3=O)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(COC(C)=O)c2)CC1
Cc1ccccc1N1CCN(Cc2ccccc2C(O)c2ccccc2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CCC3=O)c2)CC1
Cc1ccccc1N1CCN(Cc2cccc(c2)C(O)c2ccccc2)CC1
CCC(C)(O)c1cccc(CN2CCN(CC2)c2ccccc2C)c1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CNc3cc(=O)n(C)c(=O)n3C)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(Cn3cc(O)[nH]c3=O)c2)CC1
CCCCNCc1ccc(CN2CCN(CC2)c2ccccc2OC(C)C)cc1
CC(O)c1ccccc1CN1CCN(CC1)c1ccccc1C
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CNc3ccc(F)cc3)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(Cc3[nH]c(=O)[nH]c3O)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3)cc2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN)c2)CC1
Cc1ccccc1N1CCN(Cc2cccc(c2)C(O)C2CCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CC4(CCCC4)CC3=O)c2)CC1
Cc1ccccc1N1CCN(Cc2ccc(cc2)C(O)c2ccccc2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(C)O)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(CNC(C)=O)c2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(Cn3c(O)c[nH]c3=O)c2)CC1
CCCN[C@@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
CCCN[C@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1 |r|
CCCN[C@@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1 |r|
CCCN[C@@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1 |r|
CCCN[C@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1 |r|
COc1cccc2C(CCCNCCC3CCCc4ccccc34)CCCc12
COc1ccc2CCCC(CCCN3CCN(CC3)C3=NCCCC3)c2c1 |t:20|
COc1cccc2C(CCCCN3CCN(CC3)C3=NCCCC3)CCCc12 |t:19|
COc1cccc2C(CCCN3CCNCC3)CCCc12
COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)CCCc12
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
C(CN1CCN(Cc2ccccc2)CC1)CC1=CCCc2ccccc12 |t:18|
COc1cccc2C(CCCNCCc3ccccc3)CCCc12
COc1ccc2CCCC(CCCN3CCNCC3)c2c1
COc1cccc2C(CCCNCCNc3ccccc3)CCCc12
COc1cccc2C(CCCN3CCN(Cc4ccccc4)CC3)=CCCc12 |c:25|
COc1cccc2C(CCCNCCCc3ccccc3)CCCc12
C(CC1CCCc2ccccc12)CN1CCN(CC1)C1=NCCCC1 |t:22|
COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccn1
COc1cccc2C(CCCc12)C(=O)N(C)CCN1CCN(CC1)c1ccccc1
COc1cccc2C(CCCc12)NC(=O)CN1CCN(CC1)c1ccccc1
COc1cccc2C(CCCc12)NCCCN1CCN(CC1)c1ccccc1
COc1cccc2C(CCCc12)C(=O)NCCCN1CCN(CC1)c1ccccc1
COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCc12)C(=O)N(C)CCCN1CCN(CC1)c1ccccc1
COc1cccc2C(CCCc12)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CCCc12)NC(=O)CCN1CCN(CC1)c1ccccn1
COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccn1
COc1cccc2C(CCCc12)C(=O)NCCCN1CCN(CC1)c1ccccn1
COc1cccc2C(CCCc12)NCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCN(C)C(=O)C2CCCc3c(OC)cccc23)CC1
COc1cccc2C(CCCc12)N(C)CCN1CCN(CC1)c1ccccc1OC
COc1cccc2C(CNCCN3CCN(CC3)c3ccccc3)CCCc12
COc1cccc2C(CCCc12)C(=O)NCCN1CCN(CC1)c1ccccc1
COc1cccc2C(CCCc12)NC(=O)CCN1CCN(CC1)c1ccccc1
CCCN(CCC)[C@@H]1CCc2c(F)ccc(-c3ccco3)c2C1
CCCN(CCC)[C@H]1CCc2c(F)ccc(-c3ccco3)c2C1
CCCN(CCC)[C@@H]1CCc2c(F)ccc(-c3cccs3)c2C1
CCCN(CCC)[C@H]1CCc2c(F)cccc2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1
CCCN(CCC)[C@@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1
CCCN(CCC)[C@H]1CCc2c(F)ccc(C(C)=O)c2C1
CCCN(CCC)[C@H]1CCc2c(F)ccc(-c3cccs3)c2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1CCc2c(F)ccc(-c3ccco3)c2C1
CCCN(CCC)[C@H]1CCc2cccc(-c3cccs3)c2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(OC)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(-c3cccs3)c2C1
CCCN(CCC)[C@@H]1CCc2c(F)ccc(C(C)=O)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(c2C1)S(=O)(=O)C(F)(F)F
CCCN(CCC)[C@H]1CCc2cccc(-c3ccco3)c2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(O)c2C1
CCCN(CCC)[C@@H]1CCc2cccc(-c3ccco3)c2C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@H]1CCc2c(F)ccc(C(C)=O)c2C1
CCCN(CCC)[C@H]1CCc2cccc(c2C1)S(=O)(=O)C(F)(F)F
CCCN(CCC)[C@H]1CCc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1
Clc1ccc(cc1)N1CCN(CCCCN2CSCC2=O)CC1
O=C1CSCN1CCCCN1CCN(CC1)c1ccc2ccccc2n1
CC1(C)SCN(CCCCN2CCN(CC2)c2cn(-c3ccc(F)cc3)c3ccccc23)C1=O
Fc1ccc(cc1)-n1cc(N2CCN(CCCCN3CSC4(CCCCC4)C3=O)CC2)c2ccccc12
O=C1CSCN1CCCCN1CCN(CC1)c1nsc2ccccc12
CC1(C)SCN(CCCCN2CCN(CC2)c2cc3ccccc3cn2)C1=O
CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
CC1(C)SCN(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C1=O
O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CSC11CCCCC1
COc1ccccc1N1CCN(CCCCN2CSC(C)C2=O)CC1
Fc1ccc(cc1)N1CCN(CCCCN2CSCC2=O)CC1
CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1cn(-c2ccccc2)c2cc(F)ccc12
CC1SCC(=O)N1CCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1cccc(N2CCN(CCCCN3CSCC3=O)CC2)c1C
CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
O=C1N(CCCCN2CCN(CC2)c2csc3ccccc23)CSC11CCCCC1
CSc1cccc(c1)N1CCN(CCCCN2C(=O)CSC2(C)C)CC1
Cc1cccc(c1)N1CCN(CCCCN2CSCC2=O)CC1
O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CSC11Cc2ccccc2C1
COc1cccc(c1)N1CCN(CCCCN2CSCC2=O)CC1
CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(Cl)ccc12
Cc1ccccc1N1CCN(CCCCN2CSCC2=O)CC1
Clc1ccc2c(nsc2c1)N1CCN(CCCCN2CSC3(CCCCC3)C2=O)CC1
CC1(C)SCC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
CC(C)(O)C1SCN(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O
FC(F)(F)CC1SCN(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O
O=C1N(CCCCN2CCN(CC2)c2nsc3ccccc23)CSC11CCCC1
CC1(C)SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(Cl)ccc12
CC1(C)SCN(CCCCN2CCN(CC2)c2cn(-c3ccccc3)c3ccccc23)C1=O
COc1ccccc1N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1
Clc1cccc(c1)N1CCN(CCCCN2CSCC2=O)CC1
Cc1cccc(N2CCN(CCCCN3CSC(C)(C)C3=O)CC2)c1C
CC1(C)SCN(CCCCN2CCN(CC2)c2nc3ccccc3s2)C1=O
O=C1N(CCCCN2CCN(CC2)c2csc3ccccc23)CSC11CCCC1
CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1cn(-c2ccc(F)cc2)c2ccccc12
COc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)CSC2(C)C)CC1
Cc1cccc(c1)N1CCN(CCCCN2C(=O)CSC2(C)C)CC1
CC1(C)SCN(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O
Cc1ccccc1N1CCN(CCCCN2CSC(C)(C)C2=O)CC1
CC(C)(O)C1SCN(CCCCN2CCN(CC2)c2csc3cc(F)ccc23)C1=O
Cc1cccc(c1)N1CCN(CCCCN2C(=O)C(C)(C)SC2(C)C)CC1
CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1cn(-c2ccccc2)c2ccccc12
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2CSCC2=O)CC1
CC1(C)SCN(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O
Cc1cccc(c1)N1CCN(CCCCN2CSC(C)(C)C2=O)CC1
Clc1ccccc1N1CCN(CCCCN2CSCC2=O)CC1
COc1ccccc1N1CCN(CCCCN2CSC3(CCCC3)C2=O)CC1
CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
CC1SCN(CCCCN2CCN(CC2)c2nsc3ccccc23)C1=O
O=C1CSCN1CCCCN1CCN(CC1)c1nc2ccccc2s1
CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1cn(-c2ccccc2)c2ccccc12
CC1SC(C)(C)C(=O)N1CCCCN1CCN(CC1)c1nsc2cc(Cl)ccc12
CCCN(CCC)CCCC1CCCc2ccccc12
CCCN(CCC)CCCCC1CCCc2ccccc12
COc1ccc2CCCC(CCCN3CCCCC3)c2c1
C(CCN1CCc2ccccc2C1)CC1CCCc2ccccc12
C(CCC1=CCCc2ccccc12)CN1CCCCC1 |t:3|
COc1cccc2C(CCCN3CCCC(C)(C)C3)CCCc12
CC1(C)CCCN(CCCCC2CCCc3ccccc23)C1
CC1(C)CCCN(CCCC2CCCc3cscc23)C1
CCCN(CCC)CCCCC1=CCCc2ccccc12 |t:11|
COc1cccc2C(CCCN3CCCCC3)CCCc12
C(CC1CCCc2cscc12)CN1CCCCC1
C(CCN1CCC(Cc2ccccc2)CC1)CC1CCCc2ccccc12
C(CC1CCCc2ccccc12)CN1CCCCC1
C(CCN1CCCCC1)CC1CCCc2ccccc12
COc1ccc2CCC(CCN3CCN(CC3)c3ccccc3)=Cc2c1 |c:24|
COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccc1
COc1cccc2C(CCN3CCN(CC3)c3ccccc3)CCCc12
COc1ccc2C(CCCN3CCN(CC3)c3ccccc3)CCCc2c1
COc1cccc2C(CCCCN3CCN(CC3)c3ccccc3)CCCc12
COc1cccc2CCCC(CCCN3CCN(CC3)c3ccccc3)c12
COc1ccc2CC(CCN3CCN(CC3)c3ccccc3)CCc2c1
COc1cccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc12 |t:7|
COc1cccc2CC(CCN3CCN(CC3)c3ccccc3)CCc12
COc1ccc2CCC(CCN3CCN(CC3)c3ccccc3)Cc2c1
COc1ccc2C=C(CCN3CCN(CC3)c3ccccc3)CCc2c1 |t:6|
Cc1cccc(N)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CC(C)(C)c1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
Nc1ccc(Cl)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Nc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CN(CCCCN1CCN(CC1)c1nsc2ccccc12)C(=O)c1ccccc1
Nc1cccc(F)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Cc1cccc(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1N
Nc1ccc(cc1C(=O)NCCCCN1CCN(CC1)c1n[s+]c2cccc[c-]12)[N+]([O-])=O
COc1cccc(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1N
CC(C)[C@@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O
CCOC(=O)Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CCc1cc(Cl)c(OC)c(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1OC
Nc1c(F)cccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
FC(F)(F)c1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
COc1ccc(N)c(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Nc1cccc(Cl)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Nc1ccc(F)cc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CC(C)(C)OC(=O)Nc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
COc1ccc(Br)c(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CC(=O)Nc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
O=C(NCCCCN1CCN(CC1)c1nsc2ccccc12)c1ccc(cc1)\N=N\c1ccccc1
[O-][N+](=O)c1ccccc1C(=O)NCCCCN1CCN(CC1)c1n[s+]c2cccc[c-]12
Clc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Clc1cc(Cl)cc(c1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Nc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Oc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CN(CCCCN1CCN(CC1)c1nsc2ccccc12)C(=O)c1ccccc1N
CCc1cc(Cl)c(OC)c(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1O
Nc1cc(ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(F)(F)F
CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
COc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
COc1ccc(Br)c(OC)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CC(=O)Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Nc1cc(F)ccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
[N-]=[N+]=Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CCc1cc(Cl)c(O)c(C(=O)NCCCCN2CCN(CC2)c2nsc3ccccc23)c1OC
NNc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
COc1c(Br)ccc(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
Oc1ccc(Br)c(O)c1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12
CC(C)[C@H](Nc1ccccc1C(=O)NCCCCN1CCN(CC1)c1nsc2ccccc12)C(O)=O
CCCN(CCC)[C@@H]1C[C@H]1c1cc(F)ccc1O
CCCN(CCC)[C@H]1C[C@@H]1c1cc(F)ccc1OC
CCCN(CCC)[C@H]1C[C@@H]1c1cccc(O)c1
CCCN(CCC)[C@@H]1C[C@H]1c1ccccc1OC
CCCN(CCC)C1CC1c1cccs1
CCCN(CCC)[C@@H]1C[C@H]1c1cccc(O)c1
CCCN(CCC)C1CC1c1ccccc1
CCCN(CCC)[C@H]1C[C@@H]1c1ccccc1OC
CCCN(CCC)C1CC1c1ccccc1F
CCCN(CCC)[C@H]1C[C@@H]1c1cccs1
CCCN(CCC)C1CC1c1cccc(Cl)c1Cl
CCCN(CCC)C1CC1c1ccc(F)cc1
CCCN(CCC)[C@H]1C[C@@H]1c1ccccc1O
CCCN(CCC)[C@@H]1C[C@H]1c1ccccc1O
CCCN(CCC)C1CC1c1ccsc1
CCCN(CCC)[C@@H]1C[C@H]1c1cccs1
CCCN(CCC)C1CC1c1cccc(F)c1
CCCN(CCC)C1CC1c1ccccc1Br
CCCN(CCC)C1CC1c1cccc2ccsc12
CCCN(CCC)C1CC1c1ccccc1C(F)(F)F
Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O
Nc1ccc(cc1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
CC(C)C(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
CN1CCN(CC1)c1nc2ccccc2n2cccc12
Fc1cccc2nc(N3CCNCC3)c3cccn3c12
Fc1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Oc1ccc(CNCC2CCc3ccc(O)cc3O2)cc1
CS(=O)(=O)Nc1ccc2CCC(CNCCCOc3cccc(N)c3)Oc2c1
Oc1ccc2CC[C@@H](CN3CCc4ccccc4C3)Oc2c1
CC(C)CNCC1CCc2ccc(O)cc2O1
Oc1ccc2CCC(CNCCCOc3ccc4ncoc4c3)Oc2c1
Nc1cc(OCCCNCC2CCc3ccc(O)cc3O2)ccc1Cl
Oc1ccc2CCC(CN3CCc4ccccc4C3)Oc2c1
CCCCCNCC1CCc2ccc(O)cc2O1
Oc1ccc2CCC(CNCCCc3ccccc3)Oc2c1
Oc1cc2O[C@H](CNCc3ccccc3)CCc2cc1Cl
Oc1ccc2CCC(CNCc3ccc(F)cc3)Oc2c1
CS(=O)(=O)Nc1ccc2CCC(CNCc3ccccc3)Oc2c1
Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12
Oc1ccc2CCC(CNCC3CCCCC3)Oc2c1
Oc1ccc2CCC(CNCCCOc3ccc4cccnc4c3)Oc2c1
Oc1ccc2CCC(CNCCCOc3cccc4[nH]ccc34)Oc2c1
Nc1nccc(OCCCNCC2CCc3ccc(O)cc3O2)n1
Oc1ccc2CCC(CNCc3ccncc3)Oc2c1
Cc1ccc(OCCCNCC2CCc3ccc(O)cc3O2)cc1N
Oc1ccc2CCC(CNCCCOc3ccc4ocnc4c3)Oc2c1
Oc1ccc2CCC(CNCCCOc3ccccc3)Oc2c1
Oc1ccc2CCC(CNCc3cccc4ccccc34)Oc2c1
Oc1ccc2CCC(CNC3CCCCC3)Oc2c1
Cc1c(N)cccc1OCCCNCC1CCc2ccc(O)cc2O1
OCCCNCC1CCc2ccc(O)cc2O1
CCCNCC1CCc2ccc(O)cc2O1
Nc1cccc(OCCCNC[C@@H]2COc3ccc(O)cc3O2)c1
Oc1ccc2CC[C@H](CN3CCc4ccccc4C3)Oc2c1
Nc1cccc(OCCCNCC2CCc3ccc(O)cc3C2)c1
Nc1cccc(OCCCNCC2CCc3ccccc3O2)c1
Fc1ccc(CNCC2CCc3ccccc3O2)cc1
Oc1cc2O[C@@H](CNCc3ccccc3)CCc2cc1Cl
CCCCNCC1CCc2ccc(O)cc2O1
Cc1ccc(CNCC2CCc3ccc(NS(C)(=O)=O)cc3O2)cc1
Oc1ccc2CCC(CNCc3ccc(Cl)cc3)Oc2c1
Oc1cc2OC(CNCc3ccccc3)CCc2cc1Cl
Oc1ccc2CC[C@H](CNCCCCc3ccccc3)Oc2c1
CN(CC1CCc2ccc(O)cc2O1)Cc1ccccc1
Nc1cccc(OCCCNCC2CCc3ccc(O)cc3O2)c1
CS(=O)(=O)Nc1ccc2CCC(CNCCCO)Oc2c1
Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1
Oc1ccc2CCC(CNCCCCc3ccccc3)Oc2c1
Oc1ccc2CCC(CNCc3ccco3)Oc2c1
C(NCc1ccccc1)C1CCc2ccccc2O1
Nc1cccc(OCCCNCC2COc3ccc(O)cc3O2)c1
Oc1ccc2CCC(CNCc3cccs3)Oc2c1
CCCCCCNCC1CCc2ccc(O)cc2O1
Oc1ccc2CCC(CNCCCOc3ccc4CCCNc4c3)Oc2c1
CC(C)CCNCC1CCc2ccc(O)cc2O1
Oc1ccc2CC[C@@H](CNCc3ccccc3)Oc2c1
Oc1ccc2CCC(CNCc3ccccc3)Oc2c1
Oc1ccc2CCC(CNCCc3ccccc3)Oc2c1
Clc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
O=C(NCCN1CCN(CC1)C1CCCc2ccccc12)c1ccccc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
O=C1C2[C@H]3CC[C@H](C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
COc1ccc(CCCCNCCOc2c(F)ccc3CCCOc23)cc1
COc1ccc(CCCCNCCOc2cc(Cl)cc3CCCOc23)cc1
COc1ccc(CCCCNCCOc2cc(O)cc3CCCOc23)cc1
COc1ccc(CCCCNCCOc2ccc(F)c3CCCOc23)cc1
COc1ccc(CCCCNCCOc2cccc3CCCOc23)cc1
COc1ccc(CCCCNCCOc2cc(OC)cc3CCCOc23)cc1
COc1ccc(CCCCNCCOc2cc(C)cc3CCCOc23)cc1
C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@H]1CNCCO1 |r,t:7|
C(Oc1cccc2C=C(CN3CCOCC3)COc12)[C@@H]1CNCCO1 |r,t:7|
O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2ccccc2)c1
CC(C)Oc1cc(F)ccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
[O-][N+](=O)c1cccc(c1)N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
OCCN1CCN(Cc2cccc(c2)C(=O)N2CCCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N(C)C(C)=O)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCCCC2)CC1
O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)C2COc3ccccc3O2)c1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCC2)CC1
COc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(N)=O)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)Nc2ccc(F)cc2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCCC2)CC1
O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2ccccc2C#N)c1
CC(C)Oc1ccccc1C1(O)CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)NC2CCCCC2)CC1
COCCN1CCN(Cc2cccc(c2)C(=O)N2CCCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)S(=O)(=O)N2CCCCC2)CC1
CCN1CCCC1CNC(=O)c1cccc(CN2CCN(CC2)c2ccccc2OC(C)C)c1
Clc1ccc(cc1)N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
FC(F)(F)c1cccc(c1)N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
FC(F)(F)c1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(CC1)C(C)c1cccc(c1)C(=O)N1CCCCC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=S)N2CCCCC2)CC1
CC(C)Oc1ccccc1C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
CN1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2=O)CC1
O=C(N1CCCCC1)c1cccc(CN2CCNCC2)c1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N(C)C2CCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(CCc2ccc(cc2)C(=O)N2CCCCC2)CC1
Clc1cccc(c1)N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Fc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
CCOc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCCC2)CC1
O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2nsc3ccccc23)c1
CCCCN(CCCC)C(=O)c1cccc(CN2CCN(CC2)c2ccccc2OC(C)C)c1
O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2cccc3ccccc23)c1
CC(C)Oc1ccccc1N1CCN(CCCCc2ccc(cc2)C(=O)N2CCCCC2)CC1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCOCC2)CC1
Clc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2ccc3ccoc3c2)c1
CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCC2)CC1
CCCc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
O=C(N1CCCCC1)c1cccc(CN2CCN(CC2)c2ncccn2)c1
CCN(CC)C(=O)c1cccc(CN2CCN(CC2)c2ccccc2OC(C)C)c1
COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17|
COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16|
COc1ccccc1N1CCN(Cc2cnc3c4ccccc4nc(O)n23)CC1
CN1CCN(CC1)c1ccc2Cc3ccccc3-c2n1
CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
[O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
CN1CCN(CC1)c1nc2ccccc2c2C3CCC(C3)Cc12
COc1ccccc1N1CCN(CCOC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:24:23:26:18.19.20,24:19:26:25.23.22|
O=C(NCCN1CCN(Cc2ccccc2)CC1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |THB:23:24:19:27.22.21,23:22:19:26.24.25|
COc1ccccc1N1CCN(CCCOC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:25:24:27:19.20.21,25:20:27:26.24.23|
O=C(OCCN1CCN(CC1)c1ncccn1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:20:21:25:18.19.24,THB:20:19:25:26.21.22|
O=C(NCCN1CCN(CC1)c1ncccn1)C12CC3C[C@@H]1C[C@@H](C2)C3 |TLB:1:17:22:19.20.25,THB:18:17:22:19.20.25|
COc1ccccc1N1CCN(CCCOC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:16:18:23:20.21.26,THB:19:18:23:20.21.26|
COc1ccccc1N1CCN(CCCNC(=O)CC23C[C@H]4C[C@H](C[C@](C)(C4)C2)C3)CC1 |TLB:26:25:20:23.29.22,THB:24:25:20:23.29.22,24:23:20:25.28.27|
COc1ccccc1N1CCN(C[C@@H](C)NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |THB:23:22:19:26.24.25,23:24:19:27.22.21|
Clc1cccc(c1)N1CCN(CCOC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:16:17:20:23.22.24,THB:16:17:22:19.20.24,25:17:20:23.22.24,18:17:22:19.20.24,18:19:17.26.25:22|
COc1ccccc1N1CCN(CCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:25:24:27:19.20.21,25:20:27:26.24.23|
Clc1ccc(cc1)N1CCN(CCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |THB:21:22:17:25.20.19,21:20:17:24.22.23|
Clc1cccc(c1)N1CCN(CCCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:24:23:17.18:20|
O=C(NCCCN1CCN(CC1)c1ncccn1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:21:22:26:19.20.25,THB:21:20:26:27.22.23|
COc1ccccc1N1CCN(CCCNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:21.20.22,26:21:28:25.27.24,18:19:24:21.26.22,THB:18:19:25.26.24:22,27:19:25.26.24:22,20:19:24:21.26.22|
CC(C)(CN1CCN(CC1)c1ncccn1)NC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |THB:24:23:20:27.25.26,24:25:20:28.23.22|
COc1ccccc1N1CCN(CCOC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:25:24:27:20.19.21,25:20:27:24.26.23,17:18:23:20.25.21,THB:17:18:24.25.23:21,26:18:24.25.23:21,19:18:23:20.25.21|
COc1ccccc1N1CCN(CCCOC(=O)CC23C[C@H]4C[C@H](C[C@](C)(C4)C2)C3)CC1 |TLB:26:25:20:23.29.22,THB:24:25:20:23.29.22,24:23:20:25.28.27|
O=C(NCCN1CCN(CC1)c1ncccn1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:20:21:25:18.19.24,THB:20:19:25:26.21.22|
Clc1cccc(c1)N1CCN(CCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |THB:21:20:17:24.22.23,21:22:17:25.20.19|
C[C@]12C[C@@H]3C[C@H](C1)CC(CC(=O)NCCN1CCN(CC1)c1ncccn1)(C3)C2 |TLB:6:1:27:5.7.4,THB:6:5:27:1.28.2,0:1:27:5.7.4|
COc1ccccc1N1CCN(CCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:20:21:25:18.19.24,THB:20:19:25:26.21.22|
C[C@H](CN1CCN(CC1)c1ncccn1)NC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:25:24:27:19.20.21,25:20:27:26.24.23|
Clc1cccc(c1)N1CCN(CCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |THB:22:21:18:25.23.24,22:23:18:26.21.20|
O=C(N[C@H](COCc1ccccc1)CN1CCN(Cc2ccccc2)CC1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:34:33:36:28.29.30,34:29:36:35.33.32|
O=C(NCCCN1CCN(CC1)c1ncccn1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
COc1ccccc1N1CCN(CCC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:16:17:23.24.22:20,THB:16:17:22:19.24.20,25:17:23.24.22:20,18:17:22:19.24.20,18:19:17.26.25:22|
Clc1cccc(c1)N1CCN(CCCNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:17:18:21:24.23.25,THB:26:18:21:24.23.25,19:18:23:20.21.25,19:20:18.27.26:23|
COc1ccccc1N1CCN(CCOC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:15:17:22:19.20.25,THB:18:17:22:19.20.25|
O=C(CCN1CCN(CC1)c1ncccn1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:23:26:19.18.20,24:19:26:23.25.22|
O=C(N[C@H](CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:32:31:34:26.27.28,32:27:34:33.31.30|
O=C(N[C@@H](CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:32:31:34:26.27.28,32:27:34:33.31.30|
O=C(NCCCN1CCN(CC1)c1ncccn1)C12CC3C[C@@H]1C[C@@H](C2)C3 |TLB:1:18:23:20.21.26,THB:19:18:23:20.21.26|
COc1ccccc1N1CCN(CCCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:16:18:23:20.21.26,THB:19:18:23:20.21.26|
COc1ccccc1N1CCN(CCNC(=O)CC23C[C@H]4C[C@H](C[C@](C)(C4)C2)C3)CC1 |TLB:25:24:19:22.28.21,THB:23:24:19:22.28.21,23:22:19:24.27.26|
CN(CCN1CCN(CC1)c1ncccn1)C(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:25:24:27:19.20.21,25:20:27:26.24.23|
COc1ccccc1N1CCN(CCNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:25:24:27:20.19.21,25:20:27:24.26.23,17:18:23:20.21.25,THB:17:18:21:24.23.25,26:18:21:24.23.25,19:18:23:20.21.25|
Clc1cccc(c1)N1CCN(CCNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:16:17:20:23.24.22,THB:16:17:19.20.24:22,25:17:20:23.24.22,18:17:19.20.24:22,18:19:17.26.25:22|
O=C(NCCN1CCN(CC1)c1ncccn1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:21:22:26:20.19.25,THB:21:20:26:22.27.23|
C[C@]12C[C@@H]3C[C@H](C1)CC(CC(=O)NCCN1CCN(CC1)c1cccc(Cl)c1)(C3)C2 |TLB:9:8:6:3.2.4,28:8:6:3.2.4,THB:9:8:2:5.6.4,7:8:2:5.6.4,28:3:8.29.7:6|
O=C(N[C@H](CN1CCN(CC1)c1ncccn1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:31:30:33:25.26.27,31:26:33:32.30.29|
C[C@H](CN1CCN(Cc2ccccc2)CC1)NC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:26:25:28:20.21.22,26:21:28:27.25.24|
Clc1cccc(c1)N1CCN(CCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:23:22:16.17:19|
COc1ccccc1N1CCN(CCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:15:17:22:19.20.25,THB:18:17:22:19.20.25|
O=C(OCCN1CCN(CC1)c1ncccn1)C12CC3C[C@@H]1C[C@@H](C2)C3 |TLB:1:17:22:19.20.25,THB:18:17:22:19.20.25|
O=C(N[C@@H](CN1CCN(CC1)c1ncccn1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:31:30:33:25.26.27,31:26:33:32.30.29|
CCCN(CCC)CCc1cccc(OC)c1OCCc1ccccc1
CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC
CCCN(CCC)CCc1cc(Cl)ccc1OCCc1ccccc1
CCCN(CCC)CCCc1ccc(OC)c(OCCc2ccccc2)c1
CN1CCN(CC1)c1cc2-c3ccccc3-c3cccc(n1)c23
CN1CCN(CC1)c1nc2ccccc2c2-c3ccsc3CCc12
CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1COC(=O)c1ccccc1
CCCN1CCO[C@@H]2[C@@H]1CSc1ccc(O)cc21
CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O
CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
CCCCOc1ccccc1N1CCN(CCCCn2c(O)c3CCCCn3c2=O)CC1
Oc1c2CCCCn2c(=O)n1CCCN1CCN(CC1)c1ccccc1C#N
Cc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
COc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
CCCCOc1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
CCCCOc1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
CCCOC(=O)c1ccccc1N1CCN(CCCn2c(O)c3CCCCn3c2=O)CC1
Nc1cccc(c1)N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCCn3c2=O)CC1
Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(Br)c1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1
CCCNC(=O)c1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1
Cc1ccccc1N1CCN(CCCN2CC(=O)N3CCCC3C2=O)CC1
Cc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1
COc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1
CCCOC(=O)c1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
CCCOC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCCC3C2=O)CC1
CCCNC(=O)c1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1C#N
CC(C)C(=O)Nc1cccc(c1)N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1
O=C1CN(CCCCN2CCN(CC2)c2ccccc2C#N)C(=O)C2CCCCN12
Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(Br)c1
CCCCOc1ccccc1N1CCN(CCCCN2CC(=O)N3CCCC3C2=O)CC1
CCCNC(=O)c1ccccc1N1CCN(CCCCn2c(O)c3CCCCn3c2=O)CC1
CC(C)C(=O)Nc1cccc(c1)N1CCN(CCCn2c(O)c3CCCCn3c2=O)CC1
Cc1ccccc1N1CCN(CCCn2c(O)c3CCCCn3c2=O)CC1
CC(C)C(=O)Nc1cccc(c1)N1CCN(CCCN2CC(=O)N3CCCC3C2=O)CC1
CCCOC(=O)c1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1
CCCNC(=O)c1ccccc1N1CCN(CCCN2CC(=O)N3CCCCC3C2=O)CC1
O=C1CN(CCCN2CCN(CC2)c2ccccc2C#N)C(=O)C2CCCN12
Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1Br
Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1ccccc1Oc1ccccc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
O=C(OCc1cccc(Oc2ccccc2)c1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1
CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
COc1ccccc1N1CCN(CCCCNC(=O)C2=Cc3ccccc3[Te]2)CC1 |t:20|
COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccccc23)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Clc1cccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4[Te]3)CC2)c1Cl |t:17|
COc1ccccc1N1CCN(CCCCNC(=O)c2cccn3nccc23)CC1
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccnn3c2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccn3nccc3c2)CC1
Clc1ccc(cc1)N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
Fc1ccccc1N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
C(N1CCN(Cc2ccccc2)CC1)c1cn(c(n1)-c1ccccc1)-c1ccccc1
CCOc1ccccc1N1CCN(Cc2cn(c(n2)-c2ccc(F)cc2)-c2ccc(F)cc2)CC1
COc1ccc(cc1)N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
Fc1ccc(cc1)N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(Cc2cn(c(n2)-c2ccc(F)cc2)-c2ccc(F)cc2)CC1
COc1cccc(c1)N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
FC(F)(F)c1cccc(c1)N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
Clc1ccccc1N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
C(N1CCN(CC1)c1ccccn1)c1cn(c(n1)-c1ccccc1)-c1ccccc1
CN1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
CCOc1ccccc1N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
Clc1cccc(c1)N1CCN(Cc2cn(c(n2)-c2ccccc2)-c2ccccc2)CC1
C(N1CCN(CC1)c1ccccc1)c1cn(c(n1)-c1ccccc1)-c1ccccc1
Fc1ccc(cc1)-c1nc(CN2CCN(CC2)c2ccccc2)cn1-c1ccc(F)cc1
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1
COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1ccc(cc1)N1CCN(CCNC(=O)c2cccc(OC)c2)CC1
Clc1cccc(N2CCN(CCCCNC(=O)c3ccnc4ccccc34)CC2)c1Cl
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(C)cc1
Clc1cccc(N2CCN(CCCCNC(=O)c3c[nH]c4ccccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1noc2ccccc12
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc2ccccc12
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc(cc3)-c3ccccc3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNC(=O)c3[nH]nc4ccccc34)CC2)c1Cl
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(F)cc1
COc1c(cc(Br)c2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1Cl
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1nccc2ccccc12
COc1cccc(c1)C(=O)NCCCCCN1CCN(CC1)c1ccccc1OC
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
COc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1cccc2ccccc12
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c(Cl)c1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc34)C2=O)CC1
Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
CC(N)Cc1cn(C)c2ccc3OCCCc3c12
C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
CC(N)Cc1c[nH]c2ccc3OCCCc3c12
C[C@@H](N)Cc1c[nH]c2ccc3OCCCc3c12
C[C@H](Cc1cc(c(cc1OC)I)OC)N
Cn1cc(cn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1ncc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1nccc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1cncnc1
Cn1cnnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCC#N)CC3)c2c1)-c1ccc(F)cc1
CCn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1c[nH]nn1
Cn1ccnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1nnnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CCn1ncc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCOC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCOC3=O)CC2)c2cc(ccc12)-c1ncccn1
Cn1nncc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1cccnc1
Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCC#N)CC2)c2cc(ccc12)-c1ncccn1
Cn1ncnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(ccc12)-c1ncccn1
CN1CCC(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(cc23)-c2ncn(C)n2)C1=O
Cn1ccc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cnc(n1)-c1ccc2n(cc(C3CCN(CCn4c(=O)[nH]c5ccccc5c4=O)CC3)c2c1)-c1ccc(F)cc1
FC(F)(F)c1ccccc1OC(CCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
COc1ccc(OC(CC2CCNCC2)c2ccccc2)cc1
Fc1ccc(OC(CC2CCNCC2)c2ccc(F)cc2)cc1
Fc1ccccc1OC(CCN1CCN(CC1)c1nsc2ccccc12)c1ccccc1
Clc1ccc(OC(C2CCNCC2)c2ccccc2)cc1Cl
[O-][N+](=O)c1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Fc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Fc1ccccc1OC(CCN1CCN(CC1)c1noc2ccccc12)c1ccccc1
Fc1ccc(cc1)C(Oc1cccc2ccccc12)C1CCCNC1
Fc1ccc(cc1)C(Oc1ccc(cc1)C(F)(F)F)C1CCCNC1
Fc1ccc(cc1)C(Oc1ccc2OCOc2c1)C1CCCNC1
C1CC(CCN1)C(Oc1ccccc1-c1ccccc1)c1ccccc1
Fc1ccccc1OC(C1CCNCC1)c1ccccc1
C1CC(CCN1)C(Oc1ccc(cc1)-c1ccccc1)c1ccccc1
FC(F)(F)c1cccc(OC(C2CCNCC2)c2ccccc2)c1
Clc1ccc(OC(CCN2CCc3ccccc3C2)c2ccccc2)cc1
Oc1cc2CCN(CCC(Oc3ccccc3F)c3ccccc3)Cc2cc1O
c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O
Fc1ccc(cc1)C(Oc1ccccc1)C1CCCNC1
CNCCC(Oc1ccccc1OC)c1ccccc1
C1CC(CCN1)C(Oc1cccc2ccccc12)c1ccccc1
Fc1cccc(c1)C(Oc1ccccc1F)C1CCNCC1
COc1ccc(OC(CCN2CCN(CC2)c2noc3ccccc23)c2ccccc2)cc1
Clc1cc(OC(C2CCNCC2)c2ccccc2)ccc1C#N
CN1CCC(CC1)C(Oc1ccc(F)cc1)c1ccccc1
[O-][N+](=O)c1ccc(OC(CCN2CCN(CC2)c2n[o+][c-]3ccccc23)c2ccccc2)cc1
Fc1cccc(OC(C2CCNCC2)c2cccc(F)c2)c1
Cc1c(F)cccc1OC(C1CCNCC1)c1ccccc1
Fc1ccccc1OC(CCN1CCc2ccccc2C1)c1ccccc1
Nc1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
Fc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
Fc1ccc(cc1)C(Oc1ccc(cc1)C#N)C1CCCNC1
Oc1cc2CCN(CCC(Oc3ccc(Cl)cc3)c3ccccc3)Cc2cc1O
COc1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccccc2)cc1
COc1ccc(OC(C2CCN(CC2)C(C)=O)c2ccc(F)cc2)cc1
Cc1ccc(OC(CCN2CCc3ccccc3C2)c2ccccc2)cc1
Fc1ccc(cc1)C(CC1CCNCC1)Oc1ccc(cc1)C#N
Ic1cccc(OC(C2CCNCC2)c2ccccc2)c1
Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Fc1cc(OC(C2CCNCC2)c2ccccc2)cc(c1)C#N
COc1cc2CCN(CCC(Oc3ccccc3C(F)(F)F)c3ccccc3)Cc2cc1OC
Fc1cccc(OC(C2CCCC2)c2ccccc2)c1
Fc1ccc(OC(C2CCNCC2)c2ccc(F)cc2)cc1
Oc1cc2CCN(CCC(Oc3ccccc3C(F)(F)F)c3ccccc3)Cc2cc1O
COc1ccc(OC(C2CCNCC2)c2ccc(F)cc2)cc1
Brc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Brc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Cc1ccc(cc1)C(Oc1cccc(F)c1)C1CCNCC1
FC(F)(F)c1ccc(OC(CCN2CCN(CC2)c2nsc3ccccc23)c2ccccc2)cc1
Fc1cccc(OC(C2CCOCC2)c2ccccc2)c1
Fc1ccc(OC(C2CCNCC2)c2ccc(Cl)cc2)cc1
FC(F)(F)c1cccc(OC(CCN2CCN(CC2)c2nsc3ccccc23)c2ccccc2)c1
Clc1ccccc1OC(C1CCNCC1)c1ccccc1
Oc1ccc(OC(C2CCNCC2)c2ccccc2)cc1F
[O-][N+](=O)c1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccc(F)cc2)cc1
COc1cc2CCN(CCC(Oc3ccc(C)cc3)c3ccccc3)Cc2cc1OC
Fc1ccc(OC(C2CCCNC2)c2ccc(F)cc2)cc1
Fc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Cc1ccc(OC(C2CCCNC2)c2ccc(F)cc2)cc1
CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Oc1c(F)cccc1OC(C1CCNCC1)c1ccccc1
N#Cc1cccc(OC(C2CCNCC2)c2ccccc2)c1
[O-][N+](=O)c1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccccc2)cc1
Fc1ccc(cc1)C(Oc1ccc(Cl)c(Cl)c1)C1CCCNC1
Clc1ccc(cc1)C(Oc1ccccc1)C1CCNCC1
CC(=O)N1CCC(CC1)C(Oc1ccccc1)c1ccc(F)cc1
Ic1ccc(OC(C2CCNCC2)c2ccccc2)cc1
COc1cc2CCN(CCC(Oc3ccc(Cl)cc3)c3ccccc3)Cc2cc1OC
COc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
Fc1ccc(OC(CC2CCNCC2)c2ccccc2)cc1
COc1ccc(OC(C2CCCNC2)c2ccc(F)cc2)cc1
Cc1ccc(Cl)cc1OC(C1CCNCC1)c1ccccc1
Fc1ccc(OC(C2CCNCC2)c2cccc(F)c2)cc1
N#Cc1ccccc1OC(C1CCNCC1)c1ccccc1
Cc1ccc(OC(CCN2CCc3cc(O)c(O)cc3C2)c2ccccc2)cc1
Fc1ccc(cc1)C(Oc1ccc(Cl)cc1)C1CCCNC1
Nc1ccc(OC(CCC(=O)C2CCN(CC2)c2ccc(F)cc2)c2ccccc2)cc1
FC(F)(F)c1ccc(OC(C2CCNCC2)c2ccccc2)cc1
COc1cc2CCN(CCC(Oc3ccccc3F)c3ccccc3)Cc2cc1OC
FC(F)(F)c1ccccc1OC(CCN1CCc2ccccc2C1)c1ccccc1
Oc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
FC(F)(F)c1ccccc1OC(C1CCNCC1)c1ccccc1
Cc1c(Cl)cccc1OC(C1CCNCC1)c1ccccc1
COc1ccc(OC(CCN2CCN(CC2)c2nsc3ccccc23)c2ccccc2)cc1
C1CC(CCN1)C(Oc1ccccc1)c1ccccc1
Fc1ccc(cc1)N1CCC(CC1)C(=O)CCC(Oc1ccccc1F)c1ccccc1
C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2[nH]1
Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1
CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1|
ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(CC1)c1ncccn1 |t:1|
ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(=CC1)c1ncccn1 |c:22,t:1|
ClC1=COc2ccccc2C(=O)N1CCCCN1CCC=C(C1)c1ncccn1 |c:22,t:1|
Cc1ccnc(n1)C1=CN(CCCCN2C(Cl)=COc3ccccc3C2=O)CCC1 |c:17,t:8|
OC1(CCN(CCCCN2C(Cl)=COc3ccccc3C2=O)CC1)c1ncccn1 |c:11|
ClC1=COc2ccccc2C(=O)N1CCCCN1CCCC(C1)c1ncccn1 |t:1|
O=C1C(CN2CCC(Cc3ccccc3)CC2)CCCc2ccccc12
O=c1c(CN2CCN(Cc3ccccc3)CC2)coc2ccccc12
O=c1c(CN2CCC(Cc3ccccc3)CC2)coc2ccccc12
C(CN1CCC(Cc2ccccc2)CC1)Cc1ccccc1
O=C1C(CN2CCC(Cc3ccccc3)CC2)CCc2ccccc12
COc1ccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc2c1
C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
O=C1C(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc12
C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
C(C1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
O=C1C(CN2CCN(Cc3ccccc3)CC2)CCc2ccccc12
O=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
COc1cccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc12
C(C1COc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
C(C1COc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
C(C1CCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
O=C1C(CN2CCC(Cc3ccccc3)CC2)COc2ccccc12
O=c1cc(CN2CCC(Cc3ccccc3)CC2)oc2ccccc12
O=C1CC(CN2CCC(Cc3ccccc3)CC2)Oc2ccccc12
O=C1CC(CN2CCN(Cc3ccccc3)CC2)Cc2ccccc12
O=c1cc(CN2CCN(Cc3ccccc3)CC2)oc2ccccc12
C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
COc1cccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc12
C(C1CCCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
COc1ccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc2c1
C(C1Cc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
C(C1CCc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
C[C@H](CN(C(=O)c1ccc(cc1)C(F)(F)F)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
C[C@@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
C[C@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
C[C@@H](CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
C[C@@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
C[C@H](CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
C[C@@H](CN(C(=O)c1ccc(cc1)C(F)(F)F)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
[Fe]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
[Fe]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)|
c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)|
[Ru]123456789C%10C1=C2C3=C4%10.N(CCCCN1CCN(CC1)c1c(cccc1)OC)C(C51C6=C7C8=C91)=O |c:3,7,35,39,(.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;5.2,-1.55,;6.53,-.78,;7.86,-1.57,;9.21,-.8,;10.55,-1.57,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;14.55,.72,;13.22,1.5,;11.89,.74,;15.9,1.49,;17.23,.72,;18.57,1.49,;18.57,3.03,;17.23,3.8,;15.9,3.03,;17.23,-.83,;18.57,-1.6,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
[Ru]123456789C%10=C1C2C3=C4%10.Clc1c(Cl)c(ccc1)N1CCN(CC1)CCCCNC(C51C6=C7C8=C91)=O |c:1,7,35,39,(.22,-2.99,;-.23,-4.26,;-.88,-5.18,;-1.96,-4.82,;-1.96,-3.7,;-.89,-3.35,;19.91,.72,;18.57,1.49,;17.23,.72,;17.23,-.83,;15.9,1.49,;15.9,3.03,;17.23,3.8,;18.57,3.03,;14.55,.72,;14.57,-.83,;13.22,-1.59,;11.89,-.8,;11.89,.74,;13.22,1.5,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;2.53,-2.67,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;3.86,.77,)|
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc12
CN1CCCC1Cc1c[nH]c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc12
Clc1ccccc1S(=O)(=O)Nc1ccc2[nH]cc(CC3CCCN3)c2c1
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
CN(C)CC(O)COc1cccc2[nH]ccc12
COc1cccc2C(CN(C)CCc3ccc4OCOc4c3)CCCc12
CCN(CC)C(=O)[C@]1(CC1CNCC(O)COc1cccc2[nH]ccc12)c1ccccc1
COc1cccc2C(CN(C)CCc3cccc(F)c3)CCCc12
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccs1
CCCC(N1CCCC1)C(=O)c1ccccc1C
CCC(CC(=O)c1ccc(C)cc1)N1CCCC1
CCCC(N1CCCC1)C(=O)c1cccc(C)c1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)[N+]([O-])=O
CCCC(N1CCCC1)C(=O)c1ccc(Br)cc1
CCCC(N1CCCC1)C(=O)c1ccc(cc1)C(F)(F)F
CCCC(N1CCCC1)C(=O)c1ccc(NC(C)=O)cc1
CCCC(N1CCCC1)C(=O)c1ccc(O)cc1
CCCC(N1CCCC1)C(=O)c1ccc2ccccc2c1
CCC(CC(=O)c1ccc(Cl)c(Cl)c1)N1CCCC1
CCCC(N1CCCC1)C(=O)c1ccc(OC)cc1
CCC[C@H](N1CCCC1)C(=O)c1ccc(C)cc1
Fc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
COc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1
Clc1ccc(cc1)N1CCN(Cc2cn3ccccc3n2)CC1
Clc1ccc2nc(CN3CCN(CC3)c3ccc(Cl)c(Cl)c3)cn2n1
COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1
Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Clc1ccc(cc1)N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1
Clc1ccc(cc1Cl)N1CCN(Cc2cn3ccccc3n2)CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
CCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
NC(=O)c1ccc(F)c2OC[C@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
COc1cccc2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
CCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)NCCCc1c[nH]c2ccc(F)cc12
NC(=O)c1ccc(F)c2OC[C@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
CCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCc1c[nH]c2ccc(F)cc12)C1CCC1
COc1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2cccc(OC)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
CCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1
COc1cccc2OCC(Cc12)N(C)CCCc1c[nH]c2ccc(F)cc12
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1cccc(Cl)c1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCc2ccccc2C1
Cn1c2[nH]c(=O)n(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCc2ccccc2C1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1ccccc1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1ccccc1OC
Cn1c2[nH]c(=O)n(CCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1cccc(Cl)c1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1cccc(Cl)c1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1cccc(Cl)c1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1ccccc1
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1ccccc1OC
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCc2ccccc2C1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1ccccc1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCc2ccccc2C1
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCN1CCN(CC1)c1ccccc1OC
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1ccccc1
Cn1c2[nH]c(=O)n(CCCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
Cn1c2[nH]c(=O)n(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Cn1c2[nH]c(=O)n(CCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCCN1CCN(CC1)c1ccccc1OC
CN1CCc2ccc3Cc4cccc5C[C@]1(C)c2c3-c45
NC1=Nc2cccc(Cl)c2CN1 |t:1|
NC1=Nc2ccc(Cl)c(Cl)c2CN1 |t:1|
CCC1NC(N)=Nc2cccc(Cl)c12 |c:5|
CC1NC(N)=Nc2c(Cl)ccc(Cl)c12 |c:4|
COc1c(Cl)ccc2N=C(N)NC(C)c12 |t:8|
COc1cc(Cl)c(C)c2C(C)NC(N)=Nc12 |c:13|
CNC1=Nc2c(OC(C)C)cccc2C(C)N1 |t:2|
CC(C)Oc1cccc2C(C)NC(N)=Nc12 |c:13|
COc1cccc2C(C)NC(N)=Nc12 |c:11|
CNC1=Nc2ccc(Cl)c(Cl)c2C(C)N1 |t:2|
CC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:4|
CCC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:5|
CNC1=Nc2cccc(Cl)c2C(C)N1 |t:2|
CC1NC(N)=Nc2cccc(Cl)c12 |c:4|
CC(C)Oc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:17|
C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
COc1c(Cl)ccc2N=C(NCC(F)F)NC(C)c12 |t:8|
CC1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
CC1NC(NCC(F)F)=Nc2c(Cl)ccc(Cl)c12 |c:8|
COc1cccc2C(C)NC(NCC(F)F)=Nc12 |c:15|
C[C@@H]1NC(N)=Nc2cccc(Cl)c12 |c:4|
C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c12 |c:8|
C(CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
COc1ccccc1N1CCN(CCCCNc2ccc3cc(N)ccc3n2)CC1
COc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1
COc1ccc2ccc(NCCCCCN3CCN(CC3)c3ccccc3OC)nc2c1
COc1ccc2ccc(NCCCCN3CCN(CC3)c3ccccc3OC)nc2c1
COc1ccc2ccc(NCCCN3CCN(CC3)c3ccccc3OC)nc2c1
COc1ccccc1N1CCN(CCNc2ccc3cc(ccc3n2)[N+]([O-])=O)CC1
COc1ccc2ccc(NCCN3CCN(CC3)c3ccccc3OC)nc2c1
COc1ccc2nc(NCCCCCN3CCN(CC3)c3ccccc3OC)ccc2c1
COc1ccc2nc(NCCCN3CCN(CC3)c3ccccc3OC)ccc2c1
COc1ccc2nc(NCCN3CCN(CC3)c3ccccc3OC)ccc2c1
COc1ccccc1N1CCN(CCCCCNc2ccc3ccccc3n2)CC1
COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1
COc1ccccc1N1CCN(CCCNc2ccc3ccccc3n2)CC1
COc1ccccc1N1CCN(CCNc2ccc3ccccc3n2)CC1
CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(c12)-c1ccccc1 |r|
CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 |w:11.12|
Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1C
Cc1cccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1C
Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)n(-c1ccccc1)c2=O
Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1C
COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccc(OC)cc2)CC1
CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
C[N+]1(C)[C@H]2Cc3cc4OCOc4cc3[C@@H]1Cc1cc3COCc3cc21 |r|
CN1CCc2cc3OCOc3cc2C(=O)Cc2cc3OCOc3cc2C1
COc1cc2C[C@@H]3N(C)[C@@H](Cc4cc5OCOc5cc34)c2cc1O |r,THB:8:7:10.11.19:5.20.4|
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
CN1[C@H]2Cc3cc4OCOc4cc3[C@@H]1Cc1cc3OCOc3cc21 |r,TLB:0:1:14.15.23:3.12.4|
CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccnc2)CC1
CCOc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
CC(C)Oc1ccccc1N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCn2nc(ccc2=O)-n2ccc3ccccc23)CC1
O=c1ccc(nn1CCCCN1CCN(CC1)c1ncccn1)-n1ccnc1
O=c1ccc(nn1CCCCN1CCN(CC1)c1ncccn1)-n1ccc2ccccc12
O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccnc1
O=c1ccc(nn1CCCCN1CCN(CC1)c1ccc2OCCOc2c1)-n1ccc2ccccc12
COc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
CCOc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
CC(C)Oc1ccccc1N1CCN(CC1)C(=O)CCCn1nc(ccc1=O)-n1ccnc1
COc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
CCOc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
CC(C)Oc1ccccc1N1CCN(CCNC(=O)Cn2nc(ccc2=O)-n2ccnc2)CC1
NC(=O)c1ccc(Cl)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CNC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1 |r|
OC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CCNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CCCNC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CC(C)NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CC5)c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CCC5)c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NC5CCCCC5)c4C3)c2c1
Fc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(=O)NCC5CC5)c4C3)c2c1
CN(C)C(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(cc12)C#N)C1CCC1
COc1ccc2[nH]cc(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c2c1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(Cl)cc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2cc(F)ccc12)C1CCC1
COc1cccc2c(CCCN(C3CCC3)C3COc4c(F)ccc(C(N)=O)c4C3)c[nH]c12
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(Cl)cccc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2c(F)cc(F)cc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2c(F)cccc12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2ccc(F)cc12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cccc(F)c12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cc(F)ccc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2ccc(F)cc12)C1CCC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cccc(F)c12)C1CCC1
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)NCC1CCc2[nH]c3ccc(F)cc3c2C1 |r|
CCCN(CC1CCc2[nH]c3ccc(F)cc3c2C1)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 |r|
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CC1CC1)CC1CCc2[nH]c3ccc(F)cc3c2C1 |r|
CC(CCc1c[nH]c2ccc(F)cc12)N(CC1CC1)C1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(OC)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(OC)c2C1 |r|
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(F)ccc(OC)c2C1 |r|
CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(=O)NC)c2C1
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(=O)NC)c2C1 |r|
CCCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2cccc(C(N)=O)c2C1 |r|
COC(=O)c1ccc(F)c2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
CCCN(CCCCn1ccc2c(F)cccc12)C1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCCn1ccc2cc(F)ccc12)C1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCCn1ccc2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
CCCN(CCCCn1ccc2cccc(F)c12)C1COc2c(F)ccc(C(N)=O)c2C1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2cc(F)ccc12)CC1CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(CCCCn1ccc2c(F)cccc12)C1CCC1
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)NCCOc1ccccn1 |r,wU:8.8,11.15,(8.88,4.05,;10.22,3.28,;11.55,4.05,;11.55,5.59,;12.88,6.36,;14.22,5.6,;14.22,4.04,;12.88,3.28,;15.56,3.28,;15.56,1.74,;16.88,.97,;18.22,1.74,;18.22,3.28,;16.89,4.05,;19.55,.96,;20.88,1.73,;22.22,.96,;23.55,1.72,;24.88,.95,;26.21,1.72,;27.54,.96,;27.54,-.59,;26.2,-1.36,;24.87,-.59,)|
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2ccccc12 |r,wU:11.15,8.8,(8.56,-15.38,;9.89,-14.61,;9.89,-13.07,;8.56,-12.3,;8.56,-10.76,;9.89,-9.99,;11.22,-10.75,;11.23,-12.3,;12.56,-9.97,;13.89,-10.74,;15.22,-9.97,;15.22,-8.43,;13.88,-7.66,;12.55,-8.43,;16.55,-7.66,;17.88,-8.43,;19.21,-7.67,;19.22,-6.13,;17.89,-5.35,;16.54,-6.12,;20.56,-5.36,;20.55,-3.83,;21.88,-3.06,;23.22,-3.84,;23.22,-5.38,;24.54,-6.14,;24.54,-7.68,;23.21,-8.45,;21.88,-7.68,;21.88,-6.14,)|
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1 |r,wU:8.8,11.15,(21.08,-16.94,;22.41,-16.17,;22.41,-14.63,;21.08,-13.86,;21.08,-12.32,;22.41,-11.55,;23.74,-12.31,;23.75,-13.86,;25.07,-11.53,;26.41,-12.3,;27.73,-11.53,;27.73,-9.99,;26.4,-9.22,;25.06,-10,;29.06,-9.22,;30.39,-10,;31.72,-9.23,;31.73,-7.69,;30.4,-6.92,;29.06,-7.69,;33.07,-6.93,;33.06,-5.4,;34.39,-4.63,;35.73,-5.4,;35.73,-6.94,;34.39,-7.71,)|
COc1ccccc1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(-8.26,-19.66,;-9.59,-20.44,;-9.59,-21.97,;-10.92,-22.74,;-10.92,-24.29,;-9.58,-25.06,;-8.25,-24.29,;-8.25,-22.74,;-6.92,-21.96,;-5.59,-22.72,;-4.26,-21.96,;-4.26,-20.42,;-5.6,-19.65,;-6.93,-20.42,;-2.93,-19.65,;-1.6,-20.42,;-.27,-19.66,;-.26,-18.12,;-1.6,-17.34,;-2.94,-18.11,;1.07,-17.35,;1.07,-15.82,;2.4,-15.05,;3.74,-15.83,;3.73,-17.37,;2.4,-18.13,)|
COc1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,11.15,(.19,-28.28,;1.52,-27.51,;1.52,-25.97,;.19,-25.2,;.19,-23.65,;1.52,-22.88,;2.85,-23.65,;2.86,-25.2,;4.18,-22.87,;5.52,-23.63,;6.85,-22.87,;6.85,-21.33,;5.51,-20.56,;4.17,-21.33,;8.17,-20.56,;9.51,-21.33,;10.84,-20.57,;10.84,-19.03,;9.51,-18.25,;8.17,-19.02,;12.18,-18.26,;12.18,-16.73,;13.51,-15.96,;14.85,-16.74,;14.84,-18.28,;13.51,-19.04,)|
COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:11.15,8.8,(8.9,-26.66,;10.23,-27.43,;11.56,-26.67,;11.56,-25.12,;12.89,-24.35,;14.23,-25.12,;14.23,-26.67,;12.9,-27.44,;15.56,-24.33,;16.89,-25.1,;18.22,-24.33,;18.22,-22.8,;16.88,-22.03,;15.55,-22.8,;19.55,-22.03,;20.88,-22.8,;22.21,-22.04,;22.22,-20.5,;20.88,-19.72,;19.54,-20.49,;23.55,-19.73,;23.55,-18.2,;24.88,-17.43,;26.22,-18.21,;26.21,-19.75,;24.88,-20.51,)|
CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 |c:5|
CN(C)CCC1=C(C)Cc2ccc(cc12)S(=O)(=O)Nc1cccc2ccccc12 |c:5|
CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5|
CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3csc4ccccc34)cc12 |c:5|
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4s3)CC2)c1Cl
O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
OC(CCN1CCN(CC1)c1cccc(Cl)c1Cl)CNC(=O)c1cc2ccccc2[nH]1
Clc1cccc(c1)N1CCN(CCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
Clc1cccc(c1)N1CCN(CCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1 |r|
COc1ccccc1N1CCN(CCN2C(=O)CC(NC(C)=O)C2=O)CC1
COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(=O)CC3CC4CCC3C4)C2=O)CC1 |r,THB:22:23:26.27:29|
COc1ccccc1N1CCN(CCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 |r,TLB:20:22:25.24.29:27,THB:23:24:27:31.22.30,23:22:25.24.29:27,30:22:25:29.28.27,30:28:25:31.23.22|
Clc1cccc(c1)N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1 |r|
COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1 |r|
COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCC(=O)N2C(=O)c2ccccc2)CC1 |r|
Clc1cccc(c1)N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(C)=O)CC1 |r|
COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)C2CCCCC2)CC1 |r|
COc1ccccc1N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 |r,TLB:27:28:26.25.31:32,THB:29:28:25:31.30.32,29:30:27.28.33:25,27:26:28.33.29:32|
Clc1cccc(c1)N1CCN(CCNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)CC1 |r|
Clc1cccc(c1)N1CCN(CCCN2C(=O)C[C@H](NC(=O)C3CCCCC3)C2=O)CC1 |r|
Clc1cccc(c1)N1CCN(CCCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1 |r|
COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCC(=O)N2C(=O)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCCN2C(C)=O)CC1 |r|
Clc1cccc(c1)N1CCN(CCCCN2C(=O)C[C@H](NC(=O)c3ccccc3)C2=O)CC1 |r|
Clc1cccc(c1)N1CCN(CCCCNC(=O)[C@@H]2CCC(=O)N2C(=O)C2CCCCC2)CC1 |r|
Clc1cccc(c1)N1CCN(CCCCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(CCN2C(=O)CCC2=O)CC1
Clc1cccc(c1)N1CCN(CCN2C(=O)CCC2=O)CC1
COc1ccccc1N1CCN(CCN2C(=O)CC(C3CCCCC3)C2=O)CC1
Clc1cccc(c1)N1CCN(CCN2C(=O)CC(C3CCCCC3)C2=O)CC1
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCCC3)C2=O)CC1
COc1ccccc1N1CCN(CC1)C(=O)NC(N)=NCc1cccc2ccccc12 |w:19.21|
CCOc1ccccc1CN=C(N)NC(=O)NC |w:10.10|
CC1CCN(CC1)C(N)=NCCNS(=O)(=O)c1cccc(C)c1 |w:9.10|
Cc1cccc(c1)S(=O)(=O)NCCN=C(N)N1CCC(CC1)c1ccccc1 |w:13.13|
COc1ccccc1N1CCN(CC1)C(N)=NCCNS(=O)(=O)c1cccc(C)c1 |w:16.18|
Cc1cccc(c1)S(=O)(=O)NCCCN=C(N)N1CCC(CC1)c1ccccc1 |w:14.14|
COc1ccccc1N1CCN(CC1)C(N)=NCCCNS(=O)(=O)c1cccc2ccccc12 |w:16.18|
Cc1cccc(c1)S(=O)(=O)NCCCCN=C(N)N1CCC(CC1)c1ccccc1 |w:15.15|
COc1ccccc1N1CCN(CC1)C(N)=NCCCCNS(=O)(=O)c1ccc(C)cc1 |w:16.18|
NC(=NCCCCNS(=O)(=O)c1cccc2ccccc12)N1CCc2ccccc2C1 |w:2.2|
Cc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C
Cc1ccccc1C1CN(CCCc2cn(CCCN3CCN(CC3)c3ncccn3)nn2)CCc2cc(O)c(O)cc12
COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(C3)c3ccccc3C)nn2)CC1
Cc1ccccc1C1CN(CCCc2cn(CCCN3CCN(CC3)c3ccccc3O)nn2)CCc2cc(O)c(O)cc12
Cc1cccc(c1)C1CN(CCCc2cn(CCCN3CCN(CC3)c3ncccn3)nn2)CCc2cc(O)c(O)cc12
COc1ccccc1N1CCN(CCCn2cc(CCCN3CCc4cc(O)c(O)cc4C(C3)c3cccc(C)c3)nn2)CC1
Cc1cccc(c1)C1CN(CCCc2cn(CCCN3CCN(CC3)c3nsc4ccccc34)nn2)CCc2cc(O)c(O)cc12
COc1ccccc1N1CCN(CCCn2cc(CN3CCc4cc(O)c(O)cc4C(C3)c3cccc(C)c3)nn2)CC1
COc1ccccc1N1CCN(CCCn2cc(CCCCN3CCc4cc(O)c(O)cc4C(C3)c3cccc(C)c3)nn2)CC1
COc1ccccc1N1CCN(CCCc2cn(CCCN3CCc4cc(O)c(O)cc4C(C3)c3ccccc3C)nn2)CC1
CCN(CC)CCCc1cn(CCCN2CCN(CC2)c2ccccc2OC)nn1
Fc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21
Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12
Fc1ccc2c(c1)nc(N1CCN(Cc3ncc[nH]3)CC1)c1cccn21
COc1ccccc1N1CCN(CCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
COc1ccccc1N1CCN(CCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
COc1ccccc1N1CCN(CCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
COc1ccccc1N1CCN(CCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
C(N1CCN(CC1)c1ccccc1)c1cn(nn1)-c1ccccc1
C(N1CCN(CC1)c1ccccc1)c1cnn(c1)-c1ccccc1
Fc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccccc2)CC1
Fc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
Fc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(F)cc2)CC1
Clc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
COc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
Fc1ccc(cc1)N1CCN(Cc2cn(nn2)-c2ccccc2)CC1
Clc1ccc(cc1)N1CCN(Cc2cn(nn2)-c2ccccc2)CC1
Fc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)nn1
Fc1ccc(cc1)N1CCN(Cc2cn(nn2)-c2ccc(F)cc2)CC1
Clc1ccc(cc1)N1CCN(Cc2cn(nn2)-c2ccc(Cl)cc2)CC1
COc1ccc(cc1)N1CCN(Cc2cn(nn2)-c2ccc(Cl)cc2)CC1
[O-][N+](=O)c1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)nn1
CC(=O)Nc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)nn1
Cc1nc2ccccn2c1CN1CCN(CC1)c1ccccc1
Cc1nc2ccccn2c1CN1CCN(CC1)c1ccc(Cl)cc1
C[C@@H]1Cc2ccc3C[C@H]4N(C)CCc5cccc(c45)-c3c2O1 |r|
CN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC#C)c-31 |r|
CN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC=C)c-31 |r|
C[C@H]1Cc2ccc3C[C@H]4N(C)CCc5cccc(c45)-c3c2O1 |r|
COc1cc2CCN(C)[C@@H]3Cc4ccc(CC=C)c(O)c4-c(c1)c23 |r|
COc1cc2CCN(C)[C@@H]3Cc4cccc(OCC=C)c4-c(c1)c23 |r|
CN1CCc2cccc-3c2[C@H]1Cc1ccc2cc(C)oc2c-31 |r|
CN1CCc2cccc-3c2[C@H]1Cc1ccc(CC=C)c(O)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2c(C)c(C)oc2c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2cc(C)oc2c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(C)C=C)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC\C=C\C)c-31 |r|
CC1Cc2ccc3C[C@H]4N(C)CCc5cc(O)cc(c45)-c3c2O1 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1c(ccc(O)c-31)C(C)C=C |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2C(C)C(C)Oc2c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2CC(C)Oc2c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(C(C)C=C)c(O)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC#CC)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC#C)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2CC(C)(C)Oc2c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(CC=C)c(O)c-31 |r|
[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cccc-3c2-[#6@H]-1-[#6]-c1cccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC(C)=C)c-31 |r|
CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OCC=C)c-31 |r|
COc1cc2CCN(C)[C@@H]3Cc4cccc(O)c4-c(c1)c23 |r|
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
O=c1[nH]c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c12
Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3c3CCCCc23)nc2CCCCc2c1=O
Nn1c(CN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Nn1c(CCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
Cc1sc2nc(SCCCN3CCN(CC3)c3ccccn3)n(N)c(=O)c2c1C
Cc1sc2nc(SCCCN3CCN(CC3)c3cc(C)c4ccccc4n3)n(N)c(=O)c2c1C
Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CNCCc3c2c1=O
Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4CCCCc4n3)n(N)c(=O)c2c1C
O=c1[nH]c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc12
Nn1c(CCCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Cc1cccc2nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c12
Cc1cc(nc2ccccc12)N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(Cl)ccc2c1=O
Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2ccccc2c1=O
Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c2c1C
Nn1c(CCCCN2CCN(CC2)c2ccc3ccc(O)cc3n2)nc2CCCCc2c1=O
Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4c4ccccc34)n(N)c(=O)c2c1C
Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4nc3-c3ccccc3)n(N)c(=O)c2c1C
Nn1c(CCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Cc1cc2ccccc2nc1N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1
Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3cc2O)nc2CCCCc2c1=O
Cc1sc2nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)[nH]c(=O)c2c1C
Nn1c(CCCCN2CCN(CC2)c2ccc3cc(O)ccc3n2)nc2CCCCc2c1=O
Nn1c(CCCCN2CCN(CC2)c2nc3ccccc3c3CCCc23)nc2CCCCc2c1=O
Cc1c(C)c2ccccc2nc1N1CCN(CCCCc2nc3CCCCc3c(=O)n2N)CC1
Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4s3)n(N)c(=O)c2c1C
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r|
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1
CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r|
COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1
CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC
COc1ccccc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:10:11:18:14.15|
COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1OC |r,TLB:9:10:17:13.14|
COc1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c(OC)c1 |r,TLB:8:9:16:12.13|
COc1ccc(OC)c(c1)C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:12:13:20:16.17|
COc1ccc(cc1OC)C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:12:13:20:16.17|
COc1cc(OC)cc(c1)C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:12:13:20:16.17|
COc1cc(cc(OC)c1OC)C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:14:15:22:18.19|
COc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:11:12:19:15.16|
COc1ccc(F)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:11:12:19:15.16|
COc1cc(Cl)ccc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:11:12:19:15.16|
[O-][N+](=O)c1cc(Cl)ccc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:12:13:20:16.17|
COc1cc(N)c(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 |r,TLB:12:13:20:16.17|
O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1)c1cccc2ccccc12 |r,TLB:2:3:10:6.7|
O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1)c1ccc2ccccc2c1 |r,TLB:2:3:10:6.7|
O=C(NC1C[C@H]2CC[C@H](C1)N2CC1CCCO1)c1ccccc1 |r,TLB:2:3:10:6.7|
COc1cccc(c1)C(=O)NC1C[C@H]2CC[C@H](C1)N2CC1CCCO1 |r,TLB:10:11:18:14.15|
COc1ccc(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2CC1CCCO1 |r,TLB:11:12:19:15.16|
COc1ccc(F)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2CC1CCCO1 |r,TLB:11:12:19:15.16|
COc1cc(N)c(Cl)cc1C(=O)NC1C[C@H]2CC[C@H](C1)N2CC1CCCO1 |r,TLB:12:13:20:16.17|
O=C(NC1C[C@H]2CC[C@H](C1)N2CC1CCCO1)c1cccc2ccccc12 |r,TLB:2:3:10:6.7|
O=C(NC1C[C@H]2CC[C@H](C1)N2CC1CCCO1)c1ccc2ccccc2c1 |r,TLB:2:3:10:6.7|
O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1)c1cccc2ccccc12 |r,TLB:2:3:10:6.7|
O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc2ccccc2c1 |r,TLB:2:3:10:6.7|
COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccn2)c1OC |r,TLB:9:10:17:13.14|
COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2cccnc2)c1OC |r,TLB:9:10:17:13.14|
COc1cccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccncc2)c1OC |r,TLB:9:10:17:13.14|
Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCNCC1 |c:13|
Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(Cc2ccccc2)CC1 |c:13|
Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CCc2ccccc2)CC1 |c:13|
Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCN(CC1)C1CCCCC1 |c:13|
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r|
C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
O=C(Cc1ccccn1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
O=C(Cc1cccnc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
O=C(Cc1ccncc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
O=C(Nc1ccccc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
O=C(Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1)Nc1ccccn1
O=C(Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1)Nc1cccnc1
O=C(Nc1ccncc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
O=C(Cc1ccccc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
O=C(Cc1ccccn1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
O=C(Cc1cccnc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
O=C(Cc1ccncc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
O=C(Nc1ccccc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
O=C(Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1)Nc1ccccn1
O=C(Nc1cccnc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
O=C(Nc1ccncc1)Nc1cccc(CCN2CCN(CC2)c2ccccc2)c1
C(Cc1ccccc1)N1CCN(CC1)c1ccccc1
O=C(Cc1ccccc1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
C(CCc1nc2ccccc2s1)CN1CCN(CC1)c1ncccn1
C(CCc1nc2ccccc2s1)CN1CCc2ccccc2C1
C(CCc1nc2ccccc2s1)CN1Cc2ccccc2C1
Clc1ccc(cc1)N1CCN(CCCC(=O)c2nc3ccccc3s2)CC1
O=C(CCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
Clc1ccc2n(C3CCN(CCCCC(=O)c4nc5ccccc5s4)CC3)c(=O)[nH]c2c1
O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
O=C(CCCCN1Cc2ccccc2C1)c1nc2ccccc2s1
Clc1ccc(cc1)N1CCN(CCCCC(=O)c2nc3ccccc3s2)CC1
O=C(CCCCN1CCN(CC1)c1ncccn1)c1nc2ccccc2s1
O=C(CCCCN1CCN(CC1)c1ccccc1)c1nc2ccccc2s1
O=C(CCCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3s2)CC1
OC1(CCN(CCCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1OC |r|
O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 |r|
COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 |r|
CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
CSc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
Fc1cccc(OCCN2CCC(CNS(=O)(=O)c3cccc(Cl)c3)CC2)c1
CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(F)c2)CC1
O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccs1
CC(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
Fc1cccc(C(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)C2)c1F
CC(C)c1ccccc1OCCN1CCC(C1)NC(=O)c1ccc2ccccc2n1
O=C(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1ccc2ccccc2n1
CC(C)c1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccs1
O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)C1)c1cccs1
O=S(=O)(NC1CCN(CCOc2cccc3CCCCc23)C1)c1cccs1
Fc1cccc(OCCN2CCC(C2)NS(=O)(=O)c2cccs2)c1
Clc1ccc(s1)S(=O)(=O)NC1CCN(CCOc2cccc(Cl)c2Cl)C1
Clc1ccc(s1)S(=O)(=O)NC1CCN(CCOc2cc(Cl)ccc2Cl)C1
Clc1ccc(s1)S(=O)(=O)NC1CCN(CCOc2ccccc2)C1
CC(C)c1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccc2cccnc12
CSc1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1ccc(F)cc1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2)C1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2cccc3CCCCc23)C1
Fc1ccc(cc1F)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
Fc1cccc(OCCN2CCC(C2)NS(=O)(=O)c2ccc(F)c(F)c2)c1
Fc1ccc(F)c(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)C1
Fc1ccc(F)c(c1)S(=O)(=O)NC1CCN(CCOc2cccc3CCCCc23)C1
CC(C)c1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccc(Cl)c1
CSc1ccccc1OCCN1CCC(C1)NS(=O)(=O)c1cccc(Cl)c1
CC(C)c1ccccc1OCCN1CC[C@H](C1)NS(=O)(=O)c1ccc(Cl)s1 |r|
Clc1ccc(s1)S(=O)(=O)N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 |r|
Fc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 |r|
CC(C)c1ccccc1OCCN1CC[C@@H](C1)NS(=O)(=O)c1ccc(Cl)s1 |r|
Clc1ccc(s1)S(=O)(=O)N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 |r|
Fc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1 |r|
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
Clc1ccc(s1)S(=O)(=O)NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1
Fc1cccc(OCCN2CCC(CNS(=O)(=O)c3cccs3)CC2)c1
CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
Fc1ccc(cc1)S(=O)(=O)NCC1CCN(CCOc2ccccc2-c2ccccc2)CC1
Fc1ccc(cc1)S(=O)(=O)NCC1CCN(CCOc2cccc(F)c2)CC1
NC(=O)O[C@@H](CCN1CCN(CC1)c1ccccc1)c1ccccc1 |r|
COc1ccc(cc1)N1CCN(CC[C@@H](OC(N)=O)c2ccccc2)CC1 |r|
NC(=O)O[C@H](CCN1CCN(CC1)c1ccccc1)c1ccccc1 |r|
Cc1ccc(cc1)N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
NC(=O)OC(CCN1CCN(CC1)c1ccc(cc1)C(F)(F)F)c1ccccc1
Cc1cccc(c1)N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
Cc1ccccc1N1CCN(CCC(OC(N)=O)c2ccccc2)CC1
NC(=O)OC(CCN1CCN(CC1)c1ccccc1Cl)c1ccccc1
O=C(CCN1CCN(CC1)c1ccccc1)c1ccccc1
O[C@@H](CCN1CCN(CC1)c1ccccc1)c1ccccc1 |r|
O[C@H](CCN1CCN(CC1)c1ccccc1)c1ccccc1 |r|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Cc1ccccc1-c1cccc(c1)N1CCNCC1
COc1cccc(OC)c1-c1cccc(c1)N1CCNCC1
C1CN(CCN1)c1cccc(c1)-c1ccccn1
[O-][N+](=O)c1ccc(cc1)-c1cccc(c1)N1CCNCC1
Fc1ccc(cc1)-c1cccc(c1)N1CCNCC1
C1CN(CCN1)c1cccc(c1)-c1ccccc1
C1CN(CCN1)c1ccccc1-c1ccccc1
O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1cnc2ccccc2n1 |c:8|
O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1cccc2ccccc12 |c:8|
O=C(N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1)c1ccc2ccccc2c1 |c:8|
O=C(N(CCN1CCN(CC1)c1ccccc1)c1ccccn1)c1cnc2ccccc2n1
O=C(N(CCN1CCN(CC1)c1ccccc1)c1ccccn1)c1cccc2ccccc12
O=C(N(CCN1CCN(CC1)c1ccccc1)c1ccccn1)c1ccc2ccccc2c1
COc1ccccc1N1CCN(CCN(C(=O)c2cnc3ccccc3n2)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2cccc3ccccc23)c2ccccn2)CC1
COc1ccccc1N1CCN(CCN(C(=O)c2ccc3ccccc3c2)c2ccccn2)CC1
Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21
CC(C)(C)c1ccc(Sc2ccccc2N2CCNCC2)cc1
FC(F)(F)c1ccc(Sc2ccccc2N2CCNCC2)cc1
Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Fc1ccc(Sc2ccccc2N2CCNCC2)cc1
Clc1ccc(Sc2ccccc2N2CCNCC2)cc1
COc1ccc(Sc2ccccc2N2CCNCC2)cc1
C1CN(CCN1)c1ccccc1Sc1ccccc1
Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
Cc1ccc(Sc2ccc(F)cc2)c(c1)N1CCNCC1
Cc1ccc(Sc2ccc(Cl)cc2)c(c1)N1CCNCC1
COc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
Cc1ccc(Sc2ccccc2)c(c1)N1CCNCC1
Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
COc1cc(C)ccc1Sc1ccccc1N1CCNCC1
COc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
COc1ccc(Sc2ccccc2N2CCNCC2)c(OC)c1
Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl
COc1cccc(Sc2ccccc2N2CCNCC2)c1OC
Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C
Clc1ccc(Sc2ccccc2N2CCNCC2)cc1Cl
COc1ccc(Sc2ccccc2N2CCNCC2)cc1OC
Cc1ccccc1Sc1ccccc1N1CCNCC1
COc1ccccc1Sc1ccccc1N1CCNCC1
Cc1cccc(Sc2ccccc2N2CCNCC2)c1
COc1cccc(Sc2ccccc2N2CCNCC2)c1
Cc1ccc(Oc2ccccc2N2CCNCC2)c(C)c1
Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1
CN1CCN(CC1)c1ccccc1Sc1ccc(C)cc1C
Cc1ccc(Sc2c(C)cccc2N2CCNCC2)c(C)c1
Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1
Cc1ccc(Sc2ccc(C)cc2N2CCNCC2)c(C)c1
Cc1ccc(Sc2cccc(C)c2N2CCNCC2)c(C)c1
CCc1cccc(CC)c1Cc1ncc[nH]1
CCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
C(CNC[C@@H]1CCc2ccccc2O1)CNC1=NCCCN1 |t:18|
C(CNCC1CCc2ccccc2O1)CNc1nc2ccccc2[nH]1
C(CCNC1=NCCCN1)CNCC1CCc2ccccc2O1 |t:4|
C(CNCC1Cc2ccccc2O1)CNC1=NCCCN1 |t:17|
COc1cccc2OC(CNCCCNC3=NCCCN3)CCc12 |t:15|
C(CNCC1CCc2ccccc2O1)CNc1ncccn1
CC(C)NC(NCCCNCC1CCc2ccccc2O1)=NC#N |w:21.23|
COc1ccc2OC(CNCCCNC3=NCCCN3)CCc2c1 |t:14|
C(CNC[C@H]1CCc2ccccc2O1)CNC1=NCCCN1 |t:18|
C(CNCC1CCc2ccccc2O1)CNC1=NCCCC1 |t:18|
C(CNc1ncccn1)NCC1CCc2ccccc2O1
O=C1CCCN=C(NCCCNCC2CCc3ccccc3O2)N1 |t:5|
COc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1 |t:15|
C(CNCC1CNc2ccccc2O1)CNC1=NCCCN1 |t:18|
C(CNCC1CCc2ccccc2O1)CNc1ccccn1
CN1C(CNCCCNC2=NCCCN2)CCc2ccccc12 |t:9|
CC1(CNCCCNC2=NCCCN2)CCc2ccccc2O1 |t:8|
C(CNCC1CCc2ccccc2O1)CNc1ccncn1
C(CNC1=NCCCN1)NCC1CCc2ccccc2O1 |t:3|
C(CNCC1CCc2ccccc2O1)CNC1=NCCN1 |t:18|
Fc1ccc2OC(CNCCCNC3=NCCCN3)CCc2c1 |t:13|
C(CNCC1CCCc2ccccc2O1)CNC1=NCCCN1 |t:19|
C(CNCC1CCc2ccccc2C1)CNC1=NCCCN1 |t:18|
C(CNCC1CCc2ccccc2O1)CNc1nccs1
Clc1ccc(NCCCNCC2CCc3ccccc3O2)nn1
CC(C)NC(=N)NNCCCNCC1CCc2ccccc2O1
C(CCNCC1CCc2ccccc2O1)CCNC1=NCCCN1 |t:20|
CCc1ccc2CCC(CNCCCNC3=NCCCN3)Oc2c1 |t:15|
C(CNCC1CCc2ccccc2O1)CNc1cnccn1
C(CNCC1COc2ccccc2O1)CNC1=NCCCN1 |t:18|
COc1cccc2CCC(CNCCCNC3=NCCCN3)Oc12 |t:16|
C(CNCC1COc2ccccc2C1)CNC1=NCCCN1 |t:18|
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccco1
COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccco1
O=C1N(CCN2CCN(CC2)c2cccc3OCCOc23)S(=O)(=O)c2ccccc12
O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)C(=O)c2ccccc12
Fc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1cccc2OCCOc12
O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)S(=O)(=O)c2ccccc12
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O
CN(C)CCO\N=C1\c2cccn2-c2c(C)csc12
CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
NCCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12
Cc1noc(Cc2ccc3[nH]cc(CCN)c3c2)n1
CS(=O)(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
NCCc1c[nH]c2ccc(cc12)-c1nc(Cc2ccccc2)no1
CN(C)CCc1c[nH]c2ccc(CCc3nc(N)no3)cc12
NCCc1c[nH]c2ccc(cc12)-c1nc(no1)C1CC1
CN(C)CCc1c[nH]c2ccc(Cc3nc(N)ns3)cc12
CN(C)CCc1c[nH]c2ccc(Cc3nc(N)no3)cc12
NCCc1c[nH]c2ccc(Cc3nc(N)no3)cc12
Cc1noc(n1)-c1ccc2[nH]cc(CCN)c2c1
CC(=O)Nc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
CN(C)CCc1c[nH]c2ccc(Cc3nc(C)no3)cc12
COc1ccc(Cc2noc(n2)-c2ccc3[nH]cc(CCN)c3c2)cc1
CCn1nnc(Cc2ccc3[nH]cc(CCN(C)C)c3c2)n1
CN(C)CCc1c[nH]c2ccc(Cn3ccnc3)cc12
CN(C)CCc1c[nH]c2ccc(Cc3nncn3C)cc12
CN(C)CCc1c[nH]c2ccc(Cn3ccnn3)cc12
CN(C)CCc1c[nH]c2ccc(cc12)-n1cncn1
CN(C)CCc1c[nH]c2ccc(Cn3ncnn3)cc12
CN(C)CCc1c[nH]c2ccc(Cc3ncnn3C)cc12
CN(C)CCc1c[nH]c2ccc(Cn3ccnc3C)cc12
CCn1nnnc1Cc1ccc2[nH]cc(CCN(C)C)c2c1
CN(C)CCc1c[nH]c2ccc(cc12)-n1ccnc1C
CN(C)CCc1c[nH]c2ccc(Cc3nnnn3C)cc12
CN(C)CCc1c[nH]c2ccc(Cc3nnn[nH]3)cc12
CN(C)CCc1c[nH]c2ccc(Cc3nnn(C)n3)cc12
CN(C)CCc1c[nH]c2ccc(Cn3cnnn3)cc12
C(\C=C\c1ccccc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
C1CN(CC=C1)c1nc2ccsc2n2cccc12 |c:4|
C(N1CCN(CC1)c1nc2sccc2n2cccc12)c1ccc2OCOc2c1
Cc1sc2c(nc(N3CCN(Cc4ccccc4)CC3)c3cccn23)c1C
CCCN1CCN(CC1)c1nc2ccsc2n2cccc12
CN1CCN(CC1)c1nc2sccc2n2cccc12
C(N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12)c1ccccc1
Clc1ccc(cc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
C(N1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1)c1ccccc1
Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)cc1Cl
CN1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1
CN1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2sccc2n2cccc12
Fc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)cc1
Clc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)c(Cl)c1
FC(F)(F)c1ccccc1CCN1CCN(CC1)c1nc2ccsc2n2cccc12
C1CN(CCN1c1ccccc1)c1nc2ccsc2n2cccc12
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2ccsc2n2cccc12
C=CCN1CCN(CC1)c1nc2ccsc2n2cccc12
Clc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)cc1Cl
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2scc(-c3ccccc3)c2n2cccc12
C(C1CC1)N1CCN(CC1)c1nc2ccsc2n2cccc12
C(N1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1)c1ccccc1
C=CCN1CCN(CC1)c1nc2sccc2n2cccc12
Clc1ccc(cc1)C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
C(N1CCN(CC1)c1nc2sccc2n2cccc12)c1ccccc1
O=C(CN1CCN(CC1)c1nc2ccsc2n2cccc12)N1CCCC1
C1CN(CCC1c1ccccc1)c1nc2ccsc2n2cccc12
Fc1ccc(cc1)C(=O)N1CCN(CC1)c1nc2ccsc2n2cccc12
C[N+]1(Cc2ccccc2)CCN(CC1)c1nc2ccsc2n2cccc12
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2cc(sc2n2cccc12)-c1ccccc1
C1CCN(CC1)c1nc2ccsc2n2cccc12
C1CN(CCN1)c1nc2ccsc2n2cccc12
CN1CCN(CC1)c1nc2ccsc2n2cccc12
Fc1ccc(cc1)N1CCN(CC1)c1nc2ccsc2n2cccc12
C1CN(CCO1)c1nc2ccsc2n2cccc12
CCOC(=O)CN1CCN(CC1)c1nc2ccsc2n2cccc12
Clc1ccc(CN2CCN(CC2)c2nc3ccsc3n3cccc23)c(Cl)c1
Fc1ccc(CN2CCN(Cc3nc4ccsc4n4cccc34)CC2)cc1
CCOC(=O)N1CCN(CC1)c1nc2ccsc2n2cccc12
C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccc2OCOc2c1
FC(F)(F)c1cccc(c1)N1CCN(CC1)c1nc2sc(cc2n2cccc12)-c1ccccc1
C1CN(CCN1)c1nc2cc(sc2n2cccc12)-c1ccccc1
Fc1ccc(CN2CCN(CC2)c2nc3sccc3n3cccc23)cc1
C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
Fc1ccc(CN2CCN(Cc3nc4ccccc4n4cccc34)CC2)cc1
C(N1CCN(CC1)c1nc2cccnc2n2cccc12)c1ccccc1
C=CCN1CCN(CC1)c1nc2cccnc2n2cccc12
C(N1CCN(CC1)c1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1)c1ccccc1
C=CCN1CCN(CC1)c1nc2ccc3ncccc3c2n2cccc12
CCOC(=O)N1CCN(CC1)c1nc2cccnc2n2cccc12
Clc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2c1
C(N1CCN(CC1)c1nc2ccc3ncccc3c2n2cccc12)c1ccccc1
C(N1CCN(CC1)c1nc2ccccc2n2cccc12)c1ccccc1
C1CN(CCN1)c1nc2cccnc2n2cccc12
COc1ccc2c(c1)nc(N1CCN(CCCCn3cccn3)CC1)c1cccn21
Fc1ccc(CN2CCN(CC2)c2nc3cccnc3n3cccc23)cc1
CN1CCN(CC1)c1nc2cccnc2n2cccc12
Clc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn21
C(N1CCN(CC1)c1ncccc1-n1cccc1)c1ccccc1
C(Oc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1)c1ccccc1
C(N1CCN(CC1)c1nc2ccc3ncccc3c2n2cccc12)c1ccc2OCOc2c1
Fc1ccc(CN2CCN(CC2)c2nc3cc(Cl)ccc3n3cccc23)cc1
COc1ccc2nc(N3CCN(Cc4ccc(F)cc4)CC3)c3cccn3c2n1
COc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2n1
Fc1ccc(CN2CCN(CC2)c2nc3ccccc3n3cccc23)cc1
Cc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn21
C(N1CCN(CC1)c1nc2cccnc2n2cccc12)c1ccc2OCOc2c1
Cc1ccnc2c1nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn21
Clc1ccc2c(c1)nc(N1CCN(Cc3ccc4OCOc4c3)CC1)c1cccn21
C1CN(CCN1c1ccccc1)c1nc2cccnc2n2cccc12
Cc1ccnc2c1nc(N1CCN(Cc3ccccc3)CC1)c1cccn21
COc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn21
Clc1ccc(CN2CCN(CC2)c2nc3cccnc3n3cccc23)c(Cl)c1
COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
COc1ccccc1N1CCN(CCCNc2cc(C)ccc2C(=O)N(C)C)CC1
CN(C)C(=O)c1cnc2n(C)nc(C)c2c1NCCCN1CCN(CC1)c1ccccc1OCC(F)(F)F
COc1cc(F)ccc1N1CCN(CCCNc2c(cnc3n(C)nc(C)c23)C(=O)N(C)C)CC1
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(Cl)cc4)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(C)CC4)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4Cl)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4C[C@H](C)N[C@H](C)C4)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@@H]5C4)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCNCC4)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN5CCC[C@H]5C4)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cccc5ncccc45)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(C)c4C(F)(F)F)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(cc4)C#N)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cc(C)oc4C(F)(F)F)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn5ccccc45)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4C)-c4ccccc4)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccccc4C(F)(F)F)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4oc(C)nc4C)c3cc12
CCc1c(cnn1-c1ccc(cc1)C#N)C(=O)N1CCc2cc3ccnc(N4CCN(CC4)C(C)C)c3cc12
CN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4ccc(nc4)C(F)(F)F)c3cc12
CCN1CCN(CC1)c1nccc2cc3CCN(C(=O)c4cnn(c4CC)-c4ccc(cc4)C#N)c3cc12
COc1ccc2CCCCc2c1OCCNC[C@@H]1COc2ccccc2O1
COc1ccc(cc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1
COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1
COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1
COc1cc(ccc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
COc1ccc2CCCCc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3CCCCc3cc2O1 |r|
COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 |r|
COc1cc(ccc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1
COc1cccc(OC)c1OCCNC[C@H]1COc2cc3CCCCc3cc2O1 |r|
COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 |r|
COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1
COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1
COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
CC(=O)Nc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
Cc1ccc2c(OCCN3CCN(Cc4ccccc4)CC3)cccc2n1
CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1
COc1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN(C(C)=O)c1cccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(=O)Nc1ccccc1CN1CCN(CCOc2cccc3nc(C)ccc23)CC1
COc1ccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1NS(C)(=O)=O
CC(C)S(=O)(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN(c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1)S(C)(=O)=O
CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN(C)CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(C)C(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4=O)CC3)cccc2n1
CN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CC(COc1cccc2nc(C)ccc12)N1CCC(Cc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(OC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(OCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(CCCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCCCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(OCCCN3CC(C3)Oc3ccc4OCC(=O)Nc4c3)cccc2n1
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(OCC3CCN(CC(=O)c4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Cc1ccc2c(OCC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
CC(CN1CCC(Cc2ccc3OCC(=O)Nc3c2)CC1)Oc1cccc2nc(C)ccc12
Cc1ccc2c(OCCCN3CC(COc4ccc5OCC(=O)Nc5c4)C3)cccc2n1
Cc1ccc2c(OC3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
COc1cccc(OC)c1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
C(COc1ccccc1)NC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1
Cc1ncc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
O=C1COc2ccc(CCN3CCN(CC3)c3cccc4nc(ccc34)-c3ccccc3)cc2N1
Cc1cc(N2CCN(CCc3ccc4OCC(=O)Nc4c3)CC2)c2ccc(C)nc2c1
Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(ccc(Cl)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(cccc2n1)N1C[C@H]2C[C@@H]1CN2CCc1ccc2OCC(=O)Nc2c1 |r|
CC1CN(CCc2ccc3OCC(=O)Nc3c2)CCN1c1cccc2nc(C)ccc12
C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cc(F)c3OCC(=O)Nc3c2)CC1
CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Cc1cc2c(cccc2[nH]1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
C[C@@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2F)CC1
CCN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
O=C1COc2ccc(CCN3CCN(CC3)c3cccc4cccnc34)cc2N1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3NC(=O)COc3c2)CC1
CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)ccc12
CCN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
CC(C)N1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC(F)F)C(=O)COc23)CC1
C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r|
CN1C(=O)COc2c(CCCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCCc2cccc3NC(=O)COc23)CC1
C[C@H]1CN(C[C@@H](C)N1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
C[C@@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
C[C@H]1CN(CCN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
C[C@@H]1CN([C@@H](C)CN1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
CN1CCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN1CCN(CC1=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
CN1CCN(C(=O)C1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCCC4)CC3)cccc2n1
C[C@H]1CN(C[C@@H](C)O1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 |r|
CN1CCCN(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4)CC3)cccc2n1
CN1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)C4CCNCC4)CC3)cccc2n1
CC(=O)N1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)C4CCN(CC4)S(C)(=O)=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccncc4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4cccnc4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccccc4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccoc4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCOCC4)CC3)cccc2n1
Clc1cccc(c1)N1CCN(CCCn2cnc3ccccc3c2=O)CC1
Clc1cccc(c1)N1CCN(CCCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
COc1ccccc1N1CCN(CCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
COc1ccccc1N1CCN(CCCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Clc1cccc(c1)N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
COc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1
COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Clc1cccc(c1)N1CCN(CCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Clc1cccc(c1)N1CCN(CCCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
COc1ccccc1N1CCN(CCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
COc1ccccc1N1CCN(CCCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Clc1cccc(c1)N1CCN(CCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Cc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1CCCNCC1COC(O1)(c1ccccc1)c1ccccc1
COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1
COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1OC
COc1ccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)cc1OC
COc1cc(OC)cc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1
CCOc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
CC(C)Oc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
C(COc1ccccc1-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
C(COc1cccc(c1)-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
C(COc1ccc(cc1)-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1CSC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1CSC(S1)(c1ccccc1)c1ccccc1
Cc1ccc(OC(CCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2)cc1
CC1CN(CCC(O)c2csc3ccc(F)cc23)CCN1c1cccc2OCOc12
Cc1ccc2cccc(N3CCN(CCC(O)c4csc5ccccc45)CC3)c2n1
Cc1ccc2cccc(N3CCN(CCC(O)c4csc5ccc(F)cc45)CC3)c2n1
COc1ccccc1N1CCN(CCC(O)c2csc(C)c2)CC1
COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCCC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1
COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1
CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1
COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1
CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1
COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1
Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
C(COc1ccccc1)NCCOc1ccccc1OCc1ccccc1
COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1
COc1cccc(c1OCCNCCOc1ccccc1OCc1ccccc1)[N+]([O-])=O
COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1
Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1
CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3NC(=O)CCc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3[nH]c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(F)ccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
C[C@@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cccc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1c(C)ccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)C(C)(C)C1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1
CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)c(C)ccc12
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2c(Cl)ccc3n(C)c(=O)ccc23)CC1
C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
C[C@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12 |r|
Cc1ccc2c(cccc2n1)C1CCN(CCc2c(C)ccc3n(C)c(=O)ccc23)CC1
COc1ccc(cc1)N1CCN(CCC(O)c2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CC2CCC(O2)(c2ccccc2)c2ccccc2)CC1
O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1
COc1ccccc1OCCNCC1CCC(C1=O)(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CC2CCC(C2=O)(c2ccccc2)c2ccccc2)CC1
O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r|
COc1ccccc1OCCNC[C@H]1CCC([C@@H]1O)(c1ccccc1)c1ccccc1 |r|
COc1ccccc1N1CCN(C[C@H]2CCC([C@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
COc1ccccc1OCCNCC1CCC(O1)(c1ccccc1)c1ccccc1
O[C@@H]1[C@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r|
C1CN=C(N1)[C@@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|
C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
NCCC1COc2ccc(cc12)C(N)=O
NCCc1coc2ccc(cc12)C(N)=O
CN(C)CCc1coc2ccc(cc12)C(N)=O
CCCN(CCC)CC1(COc2cccc(OC)c2C1)N(CCC)CCC
COc1cccc2OCC(CNCCCCN3C(=O)CC4(CCCC4)CC3=O)Cc12
CCCN1CCN(Cc2ccccc2)CC11COc2cccc(OC)c2C1
CCCN1CCN(CCC)C2(COc3cccc(OC)c3C2)C1
CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2cccc(OC)c2C1
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2C1
CCCN1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC11COc2cccc(OC)c2C1
CCCN(CCC)CC1COc2cccc(OC)c2C1
CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21
CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@@H]1COc2ccccc2O1
CN1CCN(CC1)[C@H]2Cc3ccccc3Sc4c2cc(cc4)SC
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccc3ccccc3c2O1
O=C1CC2(CCCC2)CC(=O)N1CCCCNC[C@H]1COc2ccccc2O1
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2c(O1)ccc1ccccc21
CSc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1
O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2cc3ccccc3cc2O1
CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cnc4ccccc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cncc4ccccc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc4cccnc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cc4ccccc4cn3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc4cccnc4c3)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3cccc4cccnc34)CC2)c1Cl
Clc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc4ncccc4c3)CC2)c1Cl
Clc1ccc2ncc(cc2c1)S(=O)(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Clc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc4ncccc4c3)CC2)c1Cl
Clc1ccc2ncc(cc2c1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC
COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc12
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC |r|
COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O |r|
COc1cc2[C@@H]3Cc4ccc(O)c(OC)c4CN3CCc2cc1O
COc1c(O)ccc2C[C@@H]3N(CCc4cc5CCOc5cc34)Cc12 |r|
COc1cc2CCN3Cc4c(OC)cc(OC)c(CO)c4C[C@H]3c2cc1O |r|
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r|
COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC |r|
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC |r|
COc1c(O)ccc2C[C@@H]3N(CCc4cc5OCCOc5cc34)Cc12 |r|
Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)C(C)=O)CC1
COc1ccc(cc1OCCN1CCCCC1)N1CC=C(C1=O)c1ccc(Cl)c(Cl)c1 |c:21|
CSc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(CCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(CCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1ccccc1O |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1ccccc1Cl |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1ccccc1F |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1ccc(F)cc1 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(CC1)c1noc2ccccc12 |r|
CSc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
CSc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
COc1ccccc1N1CCN(Cc2ccc(cc2)C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccccc1O |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccccc1Cl |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccc(Cl)cc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccc(F)cc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccc(F)cc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1Cl |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1noc2ccccc12 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1noc2ccccc12 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(CC1)c1noc2ccccc12 |r|
CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1
COc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
CN1C(=O)N(CCCCCN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1
CN1C(=O)N(CCCCCN2CCN(CC2)c2ccccc2)C(C)(C1=O)c1ccccc1
CN1C(=O)N(CCCCCN2CCN(CC2)c2ccccc2F)C(C)(C1=O)c1ccccc1
COc1ccccc1N1CCN(CCCCCN2C(=O)N(C)C(=O)C2(C)c2ccccc2)CC1
CC1(C)N(CCCCCN2CCN(CC2)c2ccccc2)C(=O)N(Cc2ccccc2)C1=O
COc1ccccc1N1CCN(CCCCCN2C(=O)N(Cc3ccccc3)C(=O)C2(C)C)CC1
COc1cccc(c1)N1CCN(CCCCCN2C(=O)N(Cc3ccccc3)C(=O)C2(C)C)CC1
CC1(C)N(CCCCCN2CCN(CC2)c2ccccc2F)C(=O)N(Cc2ccccc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(F)cc2)C(=O)N(Cc2ccccc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(F)cc2F)C(=O)N(Cc2ccccc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(F)cc2F)C(=O)N(Cc2ccc(F)cc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(F)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
CC1(C)N(CCCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O
COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13
[H][C@]12CCN(CCCc3noc4cc(F)ccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3CCCN2c13 |r|
[H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r|
O=C(NCCN1CCC(CC1)c1nc2ccccc2o1)C1COc2ccccc2O1
O=C(NCCN1CCC(CC1)c1nc2ccccc2s1)C1COc2ccccc2O1
O=C(NCCCN1CCC(CC1)c1nc2ccccc2o1)C1COc2ccccc2O1
O=C(NCCCN1CCC(CC1)c1nc2ccccc2s1)C1COc2ccccc2O1
C(COCC1COc2ccccc2O1)CN1CCC(CC1)c1nc2ccccc2o1
C(COCC1COc2ccccc2O1)CN1CCC(CC1)c1nc2ccccc2s1
CC1Oc2ccccc2OC1COCCCN1CCC(CC1)c1nc2ccccc2o1
CC1Oc2ccccc2OC1COCCCN1CCC(CC1)c1nc2ccccc2s1
C(COCC1Oc2ccccc2OC1c1ccccc1)CN1CCC(CC1)c1nc2ccccc2o1
C(COCC1Oc2ccccc2OC1c1ccccc1)CN1CCC(CC1)c1nc2ccccc2s1
C(CCN1CCC(CC1)c1nc2ccccc2o1)COCC1Oc2ccccc2OC1c1ccccc1
C(CCN1CCC(CC1)c1nc2ccccc2s1)COCC1Oc2ccccc2OC1c1ccccc1
C(CCOCC1Oc2ccccc2OC1c1ccccc1)CCN1CCC(CC1)c1nc2ccccc2o1
C(CCOCC1Oc2ccccc2OC1c1ccccc1)CCN1CCC(CC1)c1nc2ccccc2s1
Cc1cc(C)cc(c1)C1=CCN(CCN2C(=O)c3ccccc3C2=O)CC1 |t:9|
O=C(NCCN1CCN(CC1)c1ccccc1)c1cnc2ccccc2n1
O=C(NCCN1CCC(=CC1)c1ccccc1)c1cnc2ccccc2n1 |c:8|
Fc1cc(F)cc(c1)N1CCN(CCNC(=O)c2cnc3ccccc3n2)CC1
Fc1cc(F)cc(c1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:9|
Cc1cc(C)cc(c1)N1CCN(CCNC(=O)c2cnc3ccccc3n2)CC1
Cc1cc(C)cc(c1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:9|
Fc1ccc(cc1)N1CCN(CCNC(=O)c2cnc3ccccc3n2)CC1
Fc1ccc(cc1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:8|
Clc1ccc(cc1)N1CCN(CCNC(=O)c2cnc3ccccc3n2)CC1
Clc1ccc(cc1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:8|
Cc1ccc(cc1)N1CCN(CCNC(=O)c2cnc3ccccc3n2)CC1
Cc1ccc(cc1)C1=CCN(CCNC(=O)c2cnc3ccccc3n2)CC1 |t:8|
O=C(NCCN1CCN(CC1)c1ccccc1)c1ccc2ccccc2c1
O=C(NCCN1CCC(=CC1)c1ccccc1)c1ccc2ccccc2c1 |c:8|
Fc1ccc(cc1)N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Fc1ccc(cc1)C1=CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 |t:8|
Clc1ccc(cc1)N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Clc1ccc(cc1)C1=CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 |t:8|
Cc1ccc(cc1)N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Cc1ccc(cc1)C1=CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 |t:8|
Fc1cc(F)cc(c1)N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Fc1cc(F)cc(c1)C1=CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 |t:9|
Cc1cc(C)cc(c1)N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
Cc1cc(C)cc(c1)C1=CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 |t:9|
O=C1N(CCN2CCC(=CC2)c2ccccc2)C(=O)c2ccccc12 |c:8|
Clc1ccc(cc1)C1=CCN(CCN2C(=O)c3ccccc3C2=O)CC1 |t:8|
Fc1cc(F)cc(c1)C1=CCN(CCN2C(=O)c3ccccc3C2=O)CC1 |t:9|
Cc1cc(C)cc(c1)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12 |r|
COc1ccc2cccc(N3CCN(CCCn4ncc(=O)n(C)c4=O)CC3)c2c1
COc1ccc2cccc(N3CCN(CCCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
CCOc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc3ccc(O)cc23)c1=O
COc1ccccc1N1CCN(CCCCCn2ncc(=O)n(C)c2=O)CC1
Cn1c(=O)cnn(CCCN2CCN(CC2)c2ccccc2F)c1=O
Cn1c(=O)cnn(CCCN2CCN(CC2)c2ccccc2)c1=O
COc1ccccc1N1CCN(CCCn2ncc(=O)n(C)c2=O)CC1
COc1ccccc1N1CCN(CCn2ncc(=O)n(C)c2=O)CC1
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(Br)n2)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(F)n2)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2S)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccn2)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccc2F)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccc(F)cn2)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccn2)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2F)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(O)c2)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2O)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2c(Br)cccc2C#N)c1=O
COc1ccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c(c1)C#N
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2c(F)cccc2C#N)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2C#N)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccc(I)cc2)c1=O
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2)c1=O
CSc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CNc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CN(C)c1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCCF)c1=O
CCOc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
COc1ccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c(OC)c1
COc1ccc(cc1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
[H][C@@]12Cc3sc(CCCC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
[H][C@@]12Cc3sc(CC(C)C)cc3CN1CCc1cc(OC)c(O)cc21 |r|
[H][C@@]12Cc3sc(CC)cc3CN1CCc1cc(OC)c(O)cc21 |r|
[H][C@@]12Cc3sc(CC4CCC4)cc3CN1CCc1cc(OC)c(O)cc21 |r|
[H][C@@]12Cc3sc(CC4CC4)cc3CN1CCc1cc(OC)c(O)cc21 |r|
[H][C@@]12Cc3sc(CCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
[H][C@@]12Cc3sc(CCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
[H][C@@]12Cc3sc(CC(C)Cl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
[H][C@@]12Cc3sc(CCCCCl)cc3CN1CCc1cc(OC)c(O)cc21 |r|
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
Cc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c1C
COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
O=C(NCCCCN1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
Fc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2c[nH]c3ccccc23)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3n2C)CC1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cc2ccccc2cn1
Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
O=C(NCCCCN1CCN(CC1)c1ccccn1)c1cc2ccccc2cn1
Cc1cccc(n1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
O=C(NCCCCN1CCN(CC1)c1ncccn1)c1cc2ccccc2cn1
O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1cc2ccccc2cn1
Fc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Fc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Oc1ccc(cc1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ccccc2n1
Cc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
O=C(NCCCCN1CCN(CC1)c1ccccn1)c1ccc2ccccc2n1
O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@H]1CCc2ccccc2N1 |r|
Cc1cccc(c1)N1CCN(CCCCNC(=O)[C@H]2CCc3ccccc3N2)CC1 |r|
O=C(NCCCCN1CCN(CC1)c1ccccc1)[C@@H]1CCc2ccccc2N1 |r|
Cc1cccc(c1)N1CCN(CCCCNC(=O)[C@@H]2CCc3ccccc3N2)CC1 |r|
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1
Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccc2)CC1
O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1ccccc1
O=C(NCCCCN1CCN(CC1)c1cnc2ccccc2c1)c1ccccc1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccccn1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
Cc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
COc1cccc(n1)N1CCN(CCCCNC(=O)c2ccccn2)CC1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2cccc(C)n2)CC1
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1cccnc1
Cl.COc1ccccc1N1CCN(CCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Cl.Cn1c2ncn(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
Cl.COc1ccccc1N1CCN(CCCCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Cl.Cn1c2ncn(CCCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Cn1c2nc(N3CCOCC3)n(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
Cl.COc1ccccc1N1CCN(CCCn2cnc3n(C)c(=O)n(C)c(=O)c23)CC1
Cl.Cn1c2ncn(CCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O
Cl.Cn1c2ncn(CCCCN3CCN(CC3)c3ccccc3)c2c(=O)n(C)c1=O
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2cccc3cnccc23)CC1
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2cccc3cnccc23)CC1
COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)N(C)C)CC1
OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1cccc(F)c1)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
[H][C@]12CCCC[C@]1([H])CN(CC\C=C\CCN1C(=O)Cc3ccccc13)CC2 |r|
[H][C@]12CCCC[C@]1([H])CN(CCCCCCCN1C(=O)Cc3ccccc13)CC2 |r|
[H][C@]12CCCC[C@]1([H])CN(CCCCCN1C(=O)Cc3ccccc13)CC2 |r|
[H][C@]12CCCC[C@]1([H])CN(CCCCN1C(=O)Cc3ccccc13)CC2 |r|
O=C1Cc2ccccc2N1CCCCCCCN1CCc2ccccc2C1
O=C1Cc2ccccc2N1CCCCCCN1CCc2ccccc2C1
O=C1Cc2ccccc2N1CCCCCN1CCc2ccccc2C1
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1
O=c1oc2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
O=c1sc2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCn2c3ccccc3oc2=O)CC1
COc1ccccc1N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Cc1ccccc1N1CCN(CCCCn2c3ccccc3sc2=O)CC1
O=c1sc2ccccc2n1CCCCN1CCN(Cc2ccccc2)CC1
Clc1ccc(cc1)N1CCN(CCCCn2c3ccccc3sc2=O)CC1
Clc1cccc(c1)N1CCN(CCCCn2c3ccccc3sc2=O)CC1
O=c1sc2ccccc2n1CCCCN1CCc2ccccc2C1
O=c1oc2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
O=c1sc2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCn2c3ccccc3oc2=O)CC1
COc1ccccc1N1CCN(CCCCCn2c3ccccc3sc2=O)CC1
O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCCn2c3ccccc3oc2=O)CC1
COc1ccccc1N1CCN(CCCCCCn2c3ccccc3sc2=O)CC1
O=c1oc2ccccc2n1CCCCCCCN1CCN(CC1)c1ccccc1
O=c1sc2ccccc2n1CCCCCCCN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3oc2=O)CC1
COc1ccccc1N1CCN(CCCCCCCn2c3ccccc3sc2=O)CC1
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c1=O |(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;10.67,-.76,;12,-1.53,;12,-3.07,;10.67,-3.84,;9.34,-3.07,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 |t:8|
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:26|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:27|
Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1 |t:8|
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:26|
Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c1=O
Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(CC2)c2c[nH]c3ccc(F)cc23)c1=O
Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Fc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)c1=O |c:27,(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Clc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 |t:8|
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:26|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:27|
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:26|
Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Clc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)CC3)c2c1 |t:8,(17.11,-.26,;16.72,-1.43,;17.74,-2.57,;17.26,-4.06,;15.74,-4.35,;14.96,-5.67,;13.48,-5.36,;13.34,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;9.34,-1.53,;8,-.76,;6.67,-1.53,;5.33,-.76,;4,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;-0,3.85,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;9.34,-3.07,;10.67,-3.84,;14.72,-3.2,;15.19,-1.73,)|
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Cl)cc23)c1=O |c:27,(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Brc1ccc2[nH]cc(C3=CCN(CCCCn4c(=O)c(-c5ccccc5)c5ccccn5c4=O)CC3)c2c1 |t:8|
Cc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26|
COc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:27|
Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26|
Fc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26|
Fc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:26,(3.73,3.24,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
COc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCC(=CC2)c2c[nH]c3ccc(Br)cc23)c1=O |c:27,(5.07,3.7,;4,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;-.01,5.39,;-0,3.85,;1.33,3.08,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;4,-1.54,;5.33,-.76,;6.67,-1.53,;8,-.76,;9.34,-1.53,;9.34,-3.07,;10.67,-3.84,;12,-3.07,;12,-1.53,;10.67,-.76,;13.34,-3.84,;13.48,-5.36,;14.96,-5.67,;15.74,-4.35,;17.26,-4.06,;17.74,-2.57,;16.72,-1.43,;17.11,-.26,;15.19,-1.73,;14.72,-3.2,;2.66,.77,;3.73,1.38,)|
OC(=O)\C=C\C(O)=O.CNC(=O)c1ccc2ccn(C3CCN(CCc4c(OC)ccc5C(=O)CC(C)(C)Oc45)CC3)c2c1
NC(=O)c1ccccc1NC(=O)CCCCN1CCN(CC1)c1cccc(Cl)c1
Cc1sc2nc(CCCCN3CCN(CC3)c3ccccc3)[nH]c(=O)c2c1C
Cc1sc2nc(CCCCCN3CCN(CC3)c3ccccc3)[nH]c(=O)c2c1C
Cc1cc2c(nc(CCCCCN3CCN(Cc4ccccc4)CC3)[nH]c2=O)s1
Cc1sc2nc(CCCCCN3CCC(Cc4ccccc4)CC3)[nH]c(=O)c2c1C
Cc1sc2nc(CCCCCN3CCN(CC3)c3cccc(Cl)c3)[nH]c(=O)c2c1C
Cc1sc2nc(CCCCCN3CCN(CC3)c3ccc(Cl)cc3)[nH]c(=O)c2c1C
O=c1[nH]c(CCCCN2CCN(CC2)c2ccccc2)nc2ccccc12
Clc1cccc(c1)N1CCN(CCCCc2nc3ccccc3c(=O)[nH]2)CC1
Clc1ccc(cc1)N1CCN(CCCCc2nc3ccccc3c(=O)[nH]2)CC1
O=c1[nH]c(CCCCCN2CCN(CC2)c2ccccc2)nc2ccccc12
Clc1cccc(c1)N1CCN(CCCCCc2nc3ccccc3c(=O)[nH]2)CC1
Clc1ccc(cc1)N1CCN(CCCCCc2nc3ccccc3c(=O)[nH]2)CC1
O=c1n(CCCCCN2CCN(CC2)c2ccccc2)cnc2ccccc12
O=c1n(CCCCCN2CCN(Cc3ccccc3)CC2)cnc2ccccc12
Clc1cccc(c1)N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1
Clc1ccc(cc1)N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1
CCOc1ccccc1N1CCN(CCCCCn2cnc3ccccc3c2=O)CC1
Cc1sc2ncn(CCCCCN3CCN(CC3)c3ccccc3)c(=O)c2c1C
Cc1sc2ncn(CCCCCN3CCN(Cc4ccccc4)CC3)c(=O)c2c1C
Cc1sc2ncn(CCCCCN3CCN(CC3)c3cccc(Cl)c3)c(=O)c2c1C
Cc1sc2ncn(CCCCCN3CCN(CC3)c3ccc(Cl)cc3)c(=O)c2c1C
c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N
Brc1ccc(s1)S(=O)(=O)Nc1ccn(Cc2cccc3ccccc23)n1
Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12
Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
Clc1ccc2NC(=O)C(c2c1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Cc1ccc(cc1)S(=O)(=O)c1nc(sc1Cl)N1CCc2ccccc2C1
O=S(=O)(Nc1cc2C3CCCCC3(Oc2c2ccccc12)N1CCOCC1)c1ccccc1
Fc1ccc(cc1)S(=O)(=O)N1CC=c2ccccc2=C1c1c[nH]c2ccccc12 |c:20,t:13|
Nc1c(sc2nc(cc(-c3ccccc3)c12)-c1ccccc1)S(=O)(=O)c1ccccc1
O=S(=O)(N1C=Cc2ccccc2C1c1c[nH]c2ccccc12)c1ccccc1 |c:4|
Brc1ccc2n3CCN(Cc4ccccc4)C4CCCc(c34)c2c1
Cc1ccc(cc1)S(=O)(=O)N\N=C1/CCCc2c1[nH]c1ccc(Cl)cc21
Clc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1nccc2ccccc12
Fc1cc(Cl)ccc1CN1c2ccccc2S(=O)(=O)c2ccccc12
O=c1ccc(n[nH]1)-c1ccc(s1)S(=O)(=O)Nc1cccc2CCCCc12
COc1cccc(c1)-n1cc(C(=O)N(C)c2cccc(Cl)c2)c2ccccc2c1=O
CCS(=O)(=O)c1nc(c(s1)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1
Cc1ccc(Nc2c(cnc3ccc(Cl)cc23)S(=O)(=O)c2ccccc2)cc1
NC(=O)C1CCN(CC1)c1c(cnc2ccc(Cl)cc12)S(=O)(=O)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)c1cnc2ccc(F)cc2c1SCc1ccc(Cl)cc1
COCCn1c(C)c(C)c(c1N)S(=O)(=O)c1ccc(Cl)cc1
CN(C(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)c1cc(Cl)ccc1C
Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCOCC1 |r|
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)CC1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)CC1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
CC(C)c1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |r|
NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 |r|
CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1 |r|
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCCC2)CC1 |r|
O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCOCC1 |r|
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1 |r|
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCOCC1 |r|
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccccc4O)ccn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccccc4O)ccn3c2c(=O)n(C)c1=O
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCN1CCN(CC1)c1ccccc1O
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCCN1CCN(CC1)c1ccccc1O
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccccc4O)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccccc4O)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccc(Cl)cc4)ccn3c2c(=O)n(C)c1=O
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCN1CCN(CC1)c1ccc(Cl)cc1
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCCN1CCN(CC1)c1ccc(Cl)cc1
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccc(Cl)cc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccc(Cl)cc4)c(cn3c2c(=O)n(C)c1=O)-c1ccccc1
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCN1CCN(CC1)c1cccc(C)c1C
Cc1cn2c(nc3n(C)c(=O)n(C)c(=O)c23)n1CCCCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccccc4O)c(=O)ccn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCCN4CCN(CC4)c4ccc(Cl)cc4)c(=O)ccn3c2c(=O)n(C)c1=O
Cn1c2nc3n(CCCCCN4CCN(CC4)c4ccc(Cl)cc4)c(=O)ccn3c2c(=O)n(C)c1=O
[H][C@@]12Cc3cc(OCc4ccc(Br)cc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCc4ccccc4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC=C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC4CCCCC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC4CC4)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)CC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OC(C)C)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCF)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCCCCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
[H][C@@]12Cc3cc(OCC)c(OC)cc3-c3c(OC)c(OC)cc(CCN1C)c23 |r|
COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |r|
Clc1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCCCC3c3ccccc3)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCCC3c3ccccc3)C2=O)CC1
O=C1NC2(CCCCC2c2ccccc2)C(=O)N1CCCCN1CCN(CC1)c1ccccc1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCC(CC3)c3ccccc3)C2=O)CC1 |(13.77,-9.92,;12.77,-9.21,;12.88,-7.98,;13.89,-8.69,;11.37,-9.85,;11.23,-11.39,;9.83,-12.03,;8.57,-11.14,;8.71,-9.61,;10.11,-8.96,;7.46,-8.72,;6.06,-9.36,;4.8,-8.47,;4.94,-6.94,;3.69,-6.04,;3.84,-4.51,;2.58,-3.61,;2.73,-2.08,;1.47,-1.19,;.02,-1.68,;-.35,-2.86,;-.88,-.44,;.02,.8,;1.44,1.44,;1.61,2.97,;.33,3.9,;-1.05,3.27,;-1.21,1.7,;.48,5.44,;-.76,6.34,;-.6,7.88,;.81,8.5,;2.05,7.59,;1.89,6.06,;1.47,.33,;2.47,1.05,;6.34,-6.29,;7.6,-7.18,)|
Clc1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCC(CC3)c3ccccc3)C2=O)CC1 |(12.49,-9.34,;11.37,-9.85,;11.23,-11.39,;9.83,-12.03,;8.57,-11.14,;8.71,-9.61,;10.11,-8.96,;7.46,-8.72,;6.06,-9.36,;4.8,-8.47,;4.94,-6.94,;3.69,-6.04,;3.84,-4.51,;2.58,-3.61,;2.73,-2.08,;1.47,-1.19,;.02,-1.68,;-.35,-2.86,;-.88,-.44,;.02,.8,;1.44,1.44,;1.61,2.97,;.33,3.9,;-1.05,3.27,;-1.21,1.7,;.48,5.44,;-.76,6.34,;-.6,7.88,;.81,8.5,;2.05,7.59,;1.89,6.06,;1.47,.33,;2.47,1.05,;6.34,-6.29,;7.6,-7.18,)|
COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCC(CC3)c3ccccc3)C2=O)CC1 |(7.06,-13.02,;7.17,-11.79,;8.57,-11.14,;9.83,-12.03,;11.23,-11.39,;11.37,-9.85,;10.11,-8.96,;8.71,-9.61,;7.46,-8.72,;6.06,-9.36,;4.8,-8.47,;4.94,-6.94,;3.69,-6.04,;3.84,-4.51,;2.58,-3.61,;2.73,-2.08,;1.47,-1.19,;.02,-1.68,;-.35,-2.86,;-.88,-.44,;.02,.8,;1.44,1.44,;1.61,2.97,;.33,3.9,;-1.05,3.27,;-1.21,1.7,;.48,5.44,;-.76,6.34,;-.6,7.88,;.81,8.5,;2.05,7.59,;1.89,6.06,;1.47,.33,;2.47,1.05,;6.34,-6.29,;7.6,-7.18,)|
O=C1NC2(CCC(CC2)c2ccccc2)C(=O)N1CCCCN1CCN(CC1)c1ccccc1 |(-.35,-2.86,;.02,-1.68,;-.88,-.44,;.02,.8,;1.44,1.44,;1.61,2.97,;.33,3.9,;-1.05,3.27,;-1.21,1.7,;.48,5.44,;-.76,6.34,;-.6,7.88,;.81,8.5,;2.05,7.59,;1.89,6.06,;1.47,.33,;2.47,1.05,;1.47,-1.19,;2.73,-2.08,;2.58,-3.61,;3.84,-4.51,;3.69,-6.04,;4.94,-6.94,;4.8,-8.47,;6.06,-9.36,;7.46,-8.72,;7.6,-7.18,;6.34,-6.29,;8.71,-9.61,;8.57,-11.14,;9.83,-12.03,;11.23,-11.39,;11.37,-9.85,;10.11,-8.96,)|
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCCc4ccccc34)C2=O)CC1
O=C1NC2(CCCc3ccccc23)C(=O)N1CCCCN1CCN(CC1)c1ccccc1
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
Clc1cccc(c1)N1CCN(CCCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
COc1ccccc1N1CCN(CCCCN2C(=O)NC3(CCc4ccccc34)C2=O)CC1
O=C1NC2(CCc3ccccc23)C(=O)N1CCCCN1CCN(CC1)c1ccccc1
COc1cccc(c1)[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:8.8,wD:11.15,(1.87,-39.15,;3.2,-38.38,;3.2,-36.84,;1.87,-36.07,;1.87,-34.53,;3.2,-33.76,;4.53,-34.52,;4.54,-36.07,;5.86,-33.74,;5.85,-32.21,;7.19,-31.43,;8.53,-32.2,;8.52,-33.74,;7.2,-34.51,;9.85,-31.43,;11.19,-32.21,;12.52,-31.44,;12.52,-29.9,;11.19,-29.13,;9.85,-29.9,;13.86,-29.14,;13.86,-27.61,;15.19,-26.84,;16.53,-27.61,;16.52,-29.15,;15.19,-29.92,)|
COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CC[S+]([O-])CC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccn3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccccc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccco3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCCC3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCN3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(C)=O)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C(F)(F)F)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccccc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccs3)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(C)(=O)=O)O2)CC1
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)Nc3ccccc3)O2)CC1
CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(CC1)c1ccccc1OC)O2
COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)NC(C)(C)C)O2)CC1
CN1CCc2ccc(O)cc2C(C1)c1ccccc1
CN1CCc2cc(N)c(O)cc2C(C1)c1ccccc1
CN1CCc2cc(O)c(N)cc2C(C1)c1ccccc1
CN1CCc2cc(NCc3ccccc3)c(O)cc2C(C1)c1ccccc1
CN1CCc2cc(NCc3cccc(Cl)c3)c(O)cc2C(C1)c1ccccc1
CN1CCc2cc(NCc3cccc(C)c3)c(O)cc2C(C1)c1ccccc1
CN1CCc2cc(NCc3ccccc3C)c(O)cc2C(C1)c1ccccc1
CN1CCc2cc(NCc3ccc(C)cc3)c(O)cc2C(C1)c1ccccc1
CN1CCc2cc(c(O)cc2C(C1)c1ccccc1)-c1cccc(C)c1
CN1CCc2cc(c(O)cc2C(C1)c1ccccc1)-c1ccc(O)cc1
C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1
Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12
COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12
C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1
COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1
Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12
COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1
O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2[nH]1
COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccccc3c2)CC1
O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12
OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CC(c1nc2ccccc2o1)c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCc3nc4ccccc4o3)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3s2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2cccc(c2)-c2nc3ccccc3o2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(-c3nc4ccccc4o3)c(F)c2)CC1
COc1cc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1-c1nc2ccccc2o1
Cc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)-c1nc2ccccc2o1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3cc(Cl)ccc3o2)CC1
Cc1ccc2oc(nc2c1)-c1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCN(CC1)c1nsc2ccccc12
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Fc1ccc(C(=O)C2CCN(CCCOc3ccc(cc3)-c3nc4ccccc4o3)CC2)c(F)c1
C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCN(CC1)c1ncccn1
COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCC(CC1)c1nc2ccccc2s1
C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCC(CC1)c1nc2ccccc2o1
C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCN(CC2COc3ccccc3O2)CC1
C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCN(CC1)c1ccccn1
Cc1cccc(N2CCN(CCCOc3ccc(cc3)-c3nc4ccccc4o3)CC2)c1C
FC(F)(F)c1cccc(c1)N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Clc1cccc(N2CCN(CCCOc3ccc(cc3)-c3nc4ccccc4o3)CC2)c1Cl
C(COc1ccc(cc1)-c1nc2ccccc2o1)CN1CCN(CC1)c1ccccc1
COc1ccccc1N1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3[nH]2)CC1
CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1
CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1cnn(C)c1
CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1
CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cnn(C)c1
CC(C)(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1
Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2C(C)(C)C)CC1
Fc1ccc(cc1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
Cn1cc(cn1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccccc1
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cccc(F)c1
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCCN1CCC(CC1)N(C)S(=O)(=O)c1cnn(C)c1
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccccc1
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cccc(F)c1
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1ccc(F)cc1
CN(C1CCN(CCOc2ccccc2C(C)(C)C)CC1)S(=O)(=O)c1cnn(C)c1
CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
C=CCN(CCc1c[nH]c2ccccc12)CC=C
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2)CC1
Fc1ccc(cc1F)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
Fc1ccc(cc1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
Fc1cccc(c1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
Clc1cccc(c1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cnn(C)c2)c1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cc(F)ccc2F)c1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2ccc(F)c(F)c2)c1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2ccc(F)cc2)c1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cccc(F)c2)c1
CC(C)c1cccc(OCCN2C3CCC2CC(C3)NS(=O)(=O)c2cccc(Cl)c2)c1
Cn1cc(cn1)S(=O)(=O)NC1CN(CCOc2ccccc2-c2ccccc2)C1
Clc1cccc(c1)S(=O)(=O)NC1CN(CCOc2ccccc2-c2ccccc2)C1
CC(C)c1ccccc1OCCN1CC(C1)NS(=O)(=O)c1ccc(F)cc1
CC(C)c1ccccc1OCCN1CC(C1)NS(=O)(=O)c1cccc(F)c1
Fc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2C2CCCC2)CC1
Fc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2C2CCCC2)CC1
Clc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2C2CCCC2)CC1
Cn1cc(cn1)S(=O)(=O)NC1CCN(CCOc2ccccc2C(C)(C)C)CC1
CC(C)(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1cccc(Cl)c1
CC(C)c1cccc(C(C)C)c1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
CC(C)Oc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
COc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Cc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1
Cn1cc(cn1)S(=O)(=O)NC1CC2CCC(C1)N2CCOc1cccc(c1)-c1ccccc1
CC(C)c1ccccc1OCCN1CCC(CC1)NC(=O)c1ccc(F)cc1
Clc1cccc(c1)C(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
CC(C)c1ccccc1OCCN1CCC(CC1)NC(=O)Nc1cccc(Cl)c1
CC(C)c1ccccc1OCCN1CCC(CC1)NC(=O)Nc1ccc(F)cc1
Clc1cccc(NC(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)c1
CC(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(N)cc1
CC(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1cccnc1
Nc1ccc(cc1)S(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1
O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccnc1
CC(C)c1ccccc1OCCN1CC2CC1CN2S(=O)(=O)c1cccc(Cl)c1 |TLB:19:18:15:12.13,11:12:18.17:15|
CC(C)c1ccccc1OCCN1CC2CC1CN2S(=O)(=O)c1ccc(F)cc1 |TLB:19:18:15:12.13,11:12:18.17:15|
Clc1cccc(c1)S(=O)(=O)N1CC2CC1CN2CCOc1ccccc1-c1ccccc1 |THB:7:10:13:16.15,17:16:10.11:13|
Fc1ccc(cc1)S(=O)(=O)N1CC2CC1CN2CCOc1ccccc1-c1ccccc1 |THB:7:10:13:16.15,17:16:10.11:13|
O=C(NCCN1CCN(CC1)c1ccccc1)c1ccncc1
COc1ccc(cc1)N1CCN(CCNC(=O)c2ccncc2)CC1
Clc1ccc(cc1Cl)N1CCN(CCNC(=O)c2ccncc2)CC1
Fc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Fc1ccc(cc1)N1CCN(CCNC(=O)c2ccncc2)CC1
O=C(NCCN1CCN(CC1)c1ccccn1)c1ccncc1
O=C(NCCN1CCN(CC1)c1ncccn1)c1ccncc1
O=C(NCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
O=C(NCCN1CCN(CC1)C(=O)c1ccco1)c1ccncc1
Clc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccccc1
CCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
O=C(NCCN1CCN(CC1)c1ccccc1C#N)c1ccncc1
Cc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Cc1cccc(N2CCN(CCNC(=O)c3ccncc3)CC2)c1C
Clc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
Clc1cccc(c1)N1CCN(CCNC(=O)c2ccncc2)CC1
Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
O=C(NCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1
O=C(NCCCN1CCN(CC1)c1ccccc1)c1ccncc1
COc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
COc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
CCOc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
O=C(NCCCN1CCN(CC1)c1ccccc1C#N)c1ccncc1
Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Cc1cccc(N2CCN(CCCNC(=O)c3ccncc3)CC2)c1C
Clc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Clc1cccc(c1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Clc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
Clc1ccc(cc1Cl)N1CCN(CCCNC(=O)c2ccncc2)CC1
Fc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1
Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccncc2)CC1
O=C(NCCCN1CCN(CC1)c1ccccn1)c1ccncc1
O=C(NCCCN1CCN(CC1)c1ncccn1)c1ccncc1
O=C(NCCCN1CCN(Cc2ccc3OCOc3c2)CC1)c1ccncc1
O=C(NCCCN1CCN(CC1)C(=O)c1ccco1)c1ccncc1
Clc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccccc1
Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
O=C(NCCCN1CCN(CC1)c1cccc2ccccc12)c1ccncc1
Oc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
Oc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCCC(=O)n2c3ccccc3c3ccccc23)CC1
CC1(C)NC(Nc2cccc(Br)c2)=NC(N)=N1 |c:13,16|
CCOC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
CCOC(=O)c1cccc(NC2=NC(=NC3(CCCCC3)N2)N(C)C)c1 |c:13,t:11|
NC1=NC2(CCCCC2)NC(Nc2cccc(Br)c2)=N1 |c:20,t:1|
CCNC(=O)c1cccc(NC2=NC(N)=NC3(CCCCC3)N2)c1 |c:14,t:11|
NCC1CC1c1cc(F)c(F)cc1OCC=C
C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 |r|
C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 |r|
C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCC(Cc2ccccc2)CC1
C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCN(Cc2ccccc2)CC1
C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
O=C1C(CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
O=C1C(CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
O[C@@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
O[C@@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
OCC(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
OCC(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
C(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
C(C1COC2(CCCCC2)O1)N1CCC(Cc2ccccc2)CC1
C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1
Cc1ccc(cc1C)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2F)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2)C1=O)c1ccc(F)cc1
Cc1ccc(C)c(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1
CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C1=O)c1ccc(F)cc1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C1=O)c1ccc(F)cc1
COc1cccc(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1
CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C1=O)c1ccc(F)cc1
NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N
CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
CNC(=O)c1ccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
CNC(=O)c1ccccc1OCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
CC(=O)Nc1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2nsc3ccccc23)c1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccc1F
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc3sccc23)c1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc3sccc23)ccc1F
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc3OC(F)(F)Oc23)c1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc3OC(F)(F)Oc23)ccc1F
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
NC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
CCNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1F
CCCCCNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1C
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1F
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
CNC(=O)c1ccc(OC)c(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1Cl
CNC(=O)c1cc(C)cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc(c1)C(C)=O
CNC(=O)c1ccc(Cl)c(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
CNC(=O)c1cc(F)cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1F
Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Fc1ccc(SCCCN2CCc3ccccc3C2)cc1
[O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1
Fc1ccc(CCCCN2CCc3ccccc3C2)cc1
Fc1ccc(OCCCN2CCc3ccccc3C2)cc1
O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N
NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C(CCCN1CCc2ccccc2C1)c1ccccc1
Fc1ccc2CC(CCN3CCc4ccccc4C3)Cc2c1
C(CCc1c[nH]c2ccccc12)CN1CCc2ccccc2C1
O=C1N(CCCCN2CCC3CCCCC3C2)C(=O)c2ccccc12
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3o2)CC1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Clc1ccc2n(C3CCN(CCCCc4nc5ccccc5s4)CC3)c(=O)[nH]c2c1
Clc1ccc2n(C3CCN(CCCCc4nc5ccccc5o4)CC3)c(=O)[nH]c2c1
OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCCc2nc3ccccc3o2)CC1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
O=C(CCOCCN1CCN(CC1)c1ncccc1-c1ccccc1)NCc1ccc(cc1)C#N
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(OCCCN2CCOCC2)cc1
C[C@H](NC(=O)CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)c1ccccc1 |r|
C[C@H]1CN(CCN1CCCCCC(=O)NCc1ccccc1)c1ccccc1-c1ccccc1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OCCCN3CCOCC3)cc2)CC1
FC(F)(F)c1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ncccc2-c2ccccc2)cc1
C[C@@H]1CN(CCN1CCCCCC(=O)NCc1ccccc1)c1ccccc1-c1ccccc1 |r|
Fc1ccc(cc1)-c1cccnc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C#N)CC1
Fc1ccc(cc1)-c1ncccc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C#N)CC1
O=C(CCOCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1
COCOc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(OCCN2CCOCC2)cc1
COc1ccc(cc1)-c1cc(F)ccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
Fc1ccc(N2CCN(CCCCCC(=O)NCc3ccc(cc3)C#N)CC2)c(c1)-c1ccc(cc1)C#N
C[C@@H](NC(=O)CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)c1ccccc1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@H](C)c2ccccc2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OCCO)cc2)CC1
Fc1ccc(cc1)-c1cccnc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C(F)(F)F)CC1
O=C(CCOCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
FC(F)(F)c1ccc(CNC(=O)CCOCCN2CCN(CC2)c2cccnc2-c2ccccc2)cc1
Fc1ccc(cc1)-c1ncccc1N1CCN(CCOCCC(=O)NCc2ccc(cc2)C(F)(F)F)CC1
O=C(CCOCCN1CCN(CC1)c1cccnc1-c1ccccc1)NCc1ccc(cc1)C#N
FC(F)(F)c1ccc(CNC(=O)CCOCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
CN(C)Cc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@H](C)c2ccc(cc2)C#N)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@@H](C)c2ccccc2)CC1 |r|
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)N[C@@H](C)c2ccc(cc2)C#N)CC1 |r|
COCOc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccc(OC)cc2)cc1
COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OCCN3CCOCC3)cc2)CC1
Cc1cccc(OCCN2CCN(CC2)c2ccccc2)c1C
Cc1cccc(OCCCN2CCN(CC2)c2ccccc2)c1C
COc1ccccc1N1CCN(CCOCCOc2cccc(C)c2C)CC1
COc1ccccc1N1CCN(CCCCOc2c(C)cccc2C)CC1
Cc1cccc(Cl)c1OCCCCN1CCN(CC1)c1ccccc1
O=C(CCCN1CCc2ccccc2C1)c1ccc2NC(=O)Cc2c1
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
CC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1
O=C1C(CCN2CCc3ccccc3C2)Cc2ccccc12
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2CC1
Clc1ccc2sc(CCCCN3CCc4c(Cl)cccc4C3)nc2c1
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2[nH]1
Fc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
Clc1ccc(cc1)C(=O)CCCN1CCCc2ccccc2C1
C(CC1=Cc2ccccc2C1)N1CCc2ccccc2C1 |t:2|
C(CC1=Cc2ccccc2CC1)N1CCc2ccccc2C1 |t:2|
[H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)cc1
COc1ccc(Br)c(CC2CCN(CCc3ccc(OC)c(Cl)c3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3cccc4OCCOc34)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc(F)cc3)CC2)c1
COc1ccc(F)c(CC2CCN(CCc3ccccc3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc4OCCOc4c3)CC2)c1
COc1ccc(Cl)c(CC2CCN(CCc3ccccc3)CC2)c1
CC(C)Oc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccccc3)CC2)c1
COc1cccc(CC2CCN(CCc3ccccc3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc(C)cc3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc(Cl)cc3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccccc3Cl)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc(OC)c(OC)c3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3cc(OC)c(OC)cc3Cl)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccc4ccccc4c3)CC2)c1
CCOc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COc1ccc(Br)c(CC2CCN(CC2)C2CCN(CC2)c2ccc(OC)c(OC)c2)c1
COc1ccc(Br)c(CC2CCN(CCc3cc4OCCOc4cc3Cl)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3cccc(Cl)c3)CC2)c1
COc1ccc(Br)c(CC2CCN(CCc3ccccc3OC)CC2)c1
COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c(Cl)c1
COc1ccc(Br)c(CC2CCN(CCc3cccc4ccccc34)CC2)c1
COc1cccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c1
FC(F)(F)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:7.6,wD:10.10,(11.43,-20.1,;11.8,-21.5,;10.77,-22.53,;10.39,-21.12,;13.28,-21.91,;13.7,-23.4,;14.31,-20.73,;15.81,-21.09,;16.83,-19.91,;18.37,-20.21,;18.83,-21.71,;20.33,-22.01,;21.35,-20.89,;22.89,-21.2,;23.35,-22.68,;24.85,-23,;25.87,-21.86,;25.41,-20.37,;23.92,-20.06,;27.41,-22.17,;28.03,-23.56,;29.57,-23.4,;29.88,-21.91,;31.22,-21.15,;31.22,-19.6,;29.88,-18.83,;28.55,-19.6,;28.55,-21.15,;17.81,-22.84,;16.32,-22.52,)|
N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:1.0,wD:4.4,(24.48,-16.8,;26.02,-16.8,;26.79,-15.47,;28.33,-15.47,;29.1,-16.8,;30.64,-16.8,;31.41,-18.14,;32.95,-18.14,;33.72,-16.8,;35.26,-16.8,;36.03,-18.14,;35.26,-19.47,;33.72,-19.47,;37.57,-18.14,;38.47,-16.89,;39.94,-17.37,;39.94,-18.91,;41.08,-19.94,;40.77,-21.44,;39.3,-21.92,;38.15,-20.88,;38.47,-19.38,;28.33,-18.14,;26.79,-18.14,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccnc1 |r,wU:6.6,wD:3.2,(28.69,-24.97,;29.08,-23.48,;28.06,-22.33,;26.55,-22.65,;25.52,-21.51,;24.02,-21.83,;23.54,-23.3,;22.03,-23.62,;21,-22.47,;19.49,-22.79,;19.01,-24.25,;17.51,-24.58,;16.48,-23.43,;16.96,-21.97,;18.46,-21.65,;14.97,-23.75,;14.34,-25.16,;12.82,-25,;12.49,-23.49,;11.16,-22.72,;11.16,-21.18,;12.49,-20.41,;13.83,-21.18,;13.83,-22.72,;24.57,-24.44,;26.07,-24.12,;30.57,-23.08,;30.97,-21.6,;32.46,-21.19,;33.55,-22.28,;33.15,-23.77,;31.66,-24.17,)|
CCN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:7.6,wD:10.10,(10.36,-14.68,;9.54,-15.96,;10.26,-17.34,;9.38,-18.63,;11.75,-17.4,;12.46,-18.78,;12.51,-16.06,;14.05,-16.06,;14.82,-14.73,;16.36,-14.73,;17.13,-16.06,;18.67,-16.06,;19.44,-14.73,;20.98,-14.73,;21.75,-13.39,;23.29,-13.39,;24.05,-14.73,;23.29,-16.06,;21.75,-16.06,;25.59,-14.73,;26.52,-16.01,;28.01,-15.5,;28.01,-13.96,;29.07,-12.93,;28.77,-11.44,;27.34,-10.98,;26.21,-12.01,;26.52,-13.49,;16.36,-17.4,;14.82,-17.4,)|
COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.67,-26.47,;12.21,-26.52,;13.03,-25.23,;14.57,-25.33,;15.29,-26.66,;15.33,-24,;16.87,-24,;17.64,-22.66,;19.18,-22.66,;19.95,-23.99,;21.49,-23.98,;22.26,-22.65,;23.8,-22.65,;24.57,-23.98,;26.11,-23.98,;26.88,-22.64,;26.11,-21.31,;24.57,-21.31,;28.42,-22.64,;29.34,-23.87,;30.83,-23.4,;30.83,-21.86,;31.95,-20.84,;31.64,-19.3,;30.15,-18.84,;29.02,-19.87,;29.34,-21.36,;19.18,-25.32,;17.64,-25.33,)|
O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccnc1 |r,wU:4.3,wD:7.7,(11.6,-23.29,;13.06,-23.79,;11.89,-24.79,;13.85,-22.47,;15.38,-22.49,;16.18,-21.18,;17.72,-21.2,;18.47,-22.55,;20,-22.57,;20.8,-21.26,;22.33,-21.29,;23.12,-19.96,;24.66,-19.99,;25.41,-21.33,;24.62,-22.66,;23.08,-22.63,;26.95,-21.37,;27.83,-22.63,;29.3,-22.18,;29.33,-20.64,;30.5,-19.63,;30.2,-18.12,;28.74,-17.61,;27.58,-18.63,;27.88,-20.14,;17.67,-23.87,;16.13,-23.85,;13.81,-25.13,;15.34,-25.16,;16.09,-26.5,;15.3,-27.83,;13.75,-27.8,;13.01,-26.45,)|
CN([C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)S(=O)(=O)c1cccs1 |r,wU:2.1,wD:5.5,(23.14,-23.94,;23.62,-22.48,;25.13,-22.16,;25.61,-20.7,;27.11,-20.38,;28.14,-21.52,;29.64,-21.2,;30.67,-22.35,;32.18,-22.03,;33.21,-23.17,;34.72,-22.85,;35.19,-21.39,;34.16,-20.24,;32.66,-20.56,;36.7,-21.06,;37.33,-19.66,;38.86,-19.82,;39.18,-21.32,;40.51,-22.1,;40.51,-23.63,;39.18,-24.41,;37.84,-23.63,;37.84,-22.1,;27.67,-22.98,;26.16,-23.31,;22.59,-21.33,;21.1,-20.94,;21.51,-22.42,;23.07,-19.87,;22.16,-18.63,;23.07,-17.38,;24.53,-17.86,;24.53,-19.4,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)C1CCCCC1 |r,wU:3.2,wD:6.6,(15.11,-24.25,;14.71,-22.76,;15.73,-21.63,;17.27,-21.94,;18.29,-20.81,;19.78,-21.12,;20.25,-22.56,;21.78,-22.92,;22.81,-21.74,;24.3,-22.1,;24.76,-23.53,;26.3,-23.84,;27.33,-22.71,;26.81,-21.28,;25.32,-20.92,;28.82,-23.02,;29.43,-24.46,;30.97,-24.31,;31.28,-22.76,;32.56,-22,;32.56,-20.45,;31.28,-19.69,;29.94,-20.45,;29.94,-22,;19.22,-23.74,;17.73,-23.43,;13.21,-22.35,;12.8,-20.86,;11.31,-20.51,;10.23,-21.59,;10.64,-23.07,;12.13,-23.48,)|
O=C(N1CCC(CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(9.38,-16.11,;10.15,-17.44,;9.38,-18.77,;11.69,-17.44,;12.46,-18.77,;12.46,-16.11,;14,-16.11,;14.77,-14.78,;16.31,-14.78,;17.08,-16.11,;18.62,-16.11,;19.38,-14.78,;20.92,-14.78,;21.7,-13.44,;23.24,-13.44,;24,-14.78,;23.24,-16.11,;21.7,-16.11,;25.54,-14.78,;26.45,-16.02,;27.91,-15.54,;27.91,-14,;29.06,-12.97,;28.73,-11.46,;27.27,-10.99,;26.12,-12.02,;26.45,-13.53,;16.31,-17.44,;14.77,-17.44,)|
CCOC(=O)N1CCC(CCN2CCN(CC2)c2nsc3ccccc23)CC1
CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:4.3,wD:7.7,(11.77,-25.1,;13.32,-25.2,;14.03,-26.59,;14.08,-23.86,;15.63,-23.86,;16.4,-22.52,;17.94,-22.52,;18.71,-23.86,;20.25,-23.86,;21.02,-22.52,;22.56,-22.52,;23.33,-23.86,;24.87,-23.86,;25.64,-22.52,;24.87,-21.19,;23.33,-21.19,;27.19,-22.52,;28.11,-23.76,;29.55,-23.3,;29.55,-21.75,;30.73,-20.73,;30.37,-19.25,;28.93,-18.79,;27.8,-19.82,;28.11,-21.3,;17.94,-25.2,;16.4,-25.2,)|
Clc1ccc2c(nsc2c1)N1CCN(C[C@H]2CC[C@H](CNC(=O)c3ccco3)CC2)CC1 |r,wU:18.20,wD:15.16,(61.66,-13.04,;60.17,-12.64,;59.14,-13.82,;57.6,-13.46,;57.14,-12.02,;55.75,-11.41,;55.91,-9.87,;57.39,-9.56,;58.17,-10.89,;59.71,-11.2,;54.42,-12.18,;53.09,-11.41,;51.75,-12.18,;51.75,-13.72,;50.42,-14.49,;49.09,-13.72,;49.09,-12.18,;47.75,-11.41,;46.41,-12.18,;45.08,-11.41,;43.75,-12.18,;42.42,-11.41,;42.31,-9.87,;41.14,-12.23,;41.09,-13.77,;39.6,-14.18,;38.78,-12.9,;39.75,-11.66,;46.41,-13.72,;47.75,-14.49,;53.09,-14.49,;54.42,-13.72,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)C1CC1 |r,wU:3.2,wD:6.6,(14.82,-26.62,;14.05,-25.29,;14.82,-23.96,;16.36,-23.96,;17.13,-22.62,;18.67,-22.62,;19.44,-23.96,;20.98,-23.96,;21.75,-22.62,;23.29,-22.62,;24.05,-21.29,;25.59,-21.29,;26.37,-22.62,;25.59,-23.96,;24.05,-23.96,;27.9,-22.62,;28.8,-23.87,;30.27,-23.39,;30.27,-21.85,;31.41,-20.82,;31.09,-19.32,;29.63,-18.85,;28.48,-19.88,;28.8,-21.38,;18.67,-25.29,;17.13,-25.29,;12.51,-25.29,;11.17,-26.05,;11.17,-24.51,)|
Nc1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1 |r,wU:19.24,wD:16.17,(32.86,-20.47,;31.52,-21.25,;30.19,-20.47,;28.85,-21.25,;28.85,-22.79,;27.72,-23.81,;28.34,-25.2,;29.88,-25.05,;30.19,-23.56,;31.52,-22.79,;26.18,-23.51,;25.15,-24.64,;23.66,-24.33,;23.14,-22.84,;21.65,-22.54,;20.63,-23.66,;19.13,-23.35,;18.62,-21.86,;17.13,-21.56,;16.1,-22.69,;16.56,-24.17,;18.1,-24.49,;14.61,-22.37,;13.58,-23.56,;13.94,-25.05,;12.09,-23.15,;11.52,-21.71,;9.98,-21.76,;9.57,-23.25,;10.86,-24.12,;24.22,-21.71,;25.72,-22.02,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1 |r,wU:3.2,wD:6.6,(14.96,-24.92,;14.59,-23.44,;15.62,-22.31,;17.11,-22.62,;18.13,-21.49,;19.62,-21.8,;20.13,-23.23,;21.61,-23.59,;22.64,-22.41,;24.13,-22.77,;24.64,-24.21,;26.12,-24.52,;27.15,-23.39,;26.69,-21.95,;25.15,-21.6,;28.64,-23.69,;29.3,-25.13,;30.79,-24.97,;31.15,-23.44,;32.48,-22.67,;32.48,-21.13,;31.15,-20.36,;29.82,-21.13,;29.82,-22.67,;19.1,-24.41,;17.57,-24.1,;13.11,-23.03,;12.7,-21.54,;11.21,-21.18,;10.14,-22.26,;10.49,-23.75,;11.98,-24.16,)|
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)N1CCOCC1 |r,wU:3.2,wD:6.6,(21,-21.12,;20.64,-19.63,;21.67,-18.49,;23.17,-18.8,;24.19,-17.67,;25.68,-17.98,;26.2,-19.42,;27.69,-19.78,;28.73,-18.6,;30.22,-18.96,;30.74,-20.4,;32.23,-20.71,;33.25,-19.57,;32.79,-18.14,;31.3,-17.77,;34.75,-19.89,;35.42,-21.32,;36.96,-21.17,;37.27,-19.63,;38.55,-18.85,;38.55,-17.31,;37.27,-16.54,;35.94,-17.31,;35.94,-18.85,;25.17,-20.61,;23.63,-20.3,;19.15,-19.21,;18.73,-17.72,;17.24,-17.36,;16.16,-18.44,;16.52,-19.94,;18.01,-20.35,)|
CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:5.4,wD:8.8,(11.36,-23.72,;12.08,-25.09,;13.63,-25.17,;14.35,-26.54,;14.39,-23.84,;15.92,-23.82,;16.73,-22.48,;18.25,-22.47,;19.02,-23.77,;20.55,-23.8,;21.36,-22.41,;22.89,-22.44,;23.66,-23.75,;25.22,-23.71,;25.99,-22.39,;25.18,-21.09,;23.64,-21.06,;27.51,-22.37,;28.43,-23.64,;29.9,-23.16,;29.87,-21.58,;30.95,-20.55,;30.62,-19.05,;29.21,-18.57,;28.06,-19.61,;28.39,-21.11,;18.27,-25.14,;16.74,-25.17,)|
Cc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,wD:14.15,(9.53,-25.15,;11.07,-25.16,;11.83,-26.49,;13.37,-26.5,;14.14,-25.16,;13.38,-23.83,;11.84,-23.82,;15.69,-25.17,;15.69,-26.71,;17.02,-25.94,;16.46,-23.84,;18,-23.84,;18.77,-22.51,;20.31,-22.51,;21.08,-23.85,;22.62,-23.85,;23.39,-22.53,;24.93,-22.52,;25.7,-21.2,;27.24,-21.2,;28.01,-22.53,;27.24,-23.86,;25.7,-23.86,;29.55,-22.54,;30.45,-23.79,;31.91,-23.32,;31.91,-21.78,;33.06,-20.75,;32.74,-19.24,;31.28,-18.76,;30.14,-19.79,;30.45,-21.29,;20.31,-25.18,;18.77,-25.18,)|
CCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.69,-26.4,;12.22,-26.5,;13.05,-25.22,;14.59,-25.27,;15.3,-26.65,;15.35,-23.94,;16.9,-23.94,;17.67,-22.61,;19.21,-22.61,;19.98,-23.94,;21.52,-23.94,;22.28,-22.61,;23.82,-22.61,;24.6,-23.94,;26.14,-23.94,;26.9,-22.61,;26.14,-21.27,;24.6,-21.27,;28.44,-22.61,;29.37,-23.89,;30.81,-23.37,;30.81,-21.83,;31.93,-20.81,;31.62,-19.32,;30.19,-18.85,;29.01,-19.88,;29.37,-21.37,;19.21,-25.27,;17.67,-25.27,)|
[O-][N+](=O)c1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1 |r,wU:18.19,wD:21.26,(18.7,-13.51,;18.34,-15.04,;16.9,-15.51,;19.52,-16.08,;20.96,-15.56,;22.13,-16.64,;21.77,-18.12,;22.7,-19.36,;21.77,-20.59,;20.34,-20.13,;20.34,-18.59,;19.16,-17.56,;24.24,-19.36,;25.01,-20.69,;26.55,-20.69,;27.32,-19.36,;28.86,-19.36,;29.62,-20.69,;31.16,-20.69,;31.93,-19.36,;33.47,-19.36,;34.24,-20.69,;33.47,-22.02,;31.93,-22.02,;35.78,-20.69,;36.55,-22.02,;35.83,-23.41,;38.09,-21.97,;38.9,-20.64,;40.39,-21.05,;40.49,-22.59,;39.06,-23.15,;26.55,-18.02,;25.01,-18.02,)|
CC(C)N(C(C)C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.9,wD:13.13,(10.89,-22.83,;10.18,-21.44,;8.69,-21.39,;11.05,-20.16,;10.33,-18.77,;8.79,-18.72,;11.2,-17.49,;12.59,-20.26,;13.26,-21.65,;13.36,-18.93,;14.9,-18.93,;15.66,-17.59,;17.2,-17.59,;17.98,-18.93,;19.52,-18.93,;20.28,-17.59,;21.82,-17.59,;22.59,-16.26,;24.13,-16.26,;24.9,-17.59,;24.13,-18.93,;22.59,-18.93,;26.44,-17.59,;27.31,-18.82,;28.8,-18.37,;28.8,-16.83,;29.87,-15.8,;29.56,-14.26,;28.13,-13.8,;27,-14.83,;27.31,-16.36,;17.2,-20.26,;15.66,-20.26,)|
O=C(NC[C@H]1CC[C@H](CN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:4.3,wD:7.7,(14.45,-20.75,;14.55,-22.29,;15.89,-23.07,;17.22,-22.29,;18.55,-23.07,;19.89,-22.29,;21.22,-23.07,;21.22,-24.61,;22.55,-25.37,;23.89,-24.61,;23.89,-23.07,;25.22,-22.29,;26.56,-23.07,;26.56,-24.61,;25.22,-25.37,;27.89,-22.29,;28.05,-20.75,;29.53,-20.44,;30.3,-21.78,;31.84,-22.08,;32.3,-23.52,;31.28,-24.71,;29.74,-24.35,;29.28,-22.91,;19.89,-25.37,;18.55,-24.61,;13.27,-23.12,;13.23,-24.66,;11.74,-25.06,;10.92,-23.78,;11.89,-22.55,)|
CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.10,wD:7.6,(41.02,-21.07,;39.48,-21.06,;38.71,-22.4,;37.17,-22.39,;37.16,-23.93,;35.83,-23.16,;36.4,-21.06,;34.86,-21.06,;34.09,-19.73,;32.55,-19.74,;31.79,-21.07,;30.25,-21.07,;29.47,-19.74,;27.93,-19.74,;27.16,-18.41,;25.62,-18.41,;24.86,-19.74,;25.63,-21.07,;27.17,-21.07,;23.32,-19.74,;22.42,-20.99,;20.95,-20.51,;20.95,-18.97,;19.8,-17.94,;20.13,-16.44,;21.59,-15.96,;22.73,-16.99,;22.41,-18.49,;32.55,-22.4,;34.09,-22.4,)|
CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:8.8,wD:5.4,(36.84,-35.7,;35.3,-35.71,;33.84,-36.21,;35,-37.22,;34.52,-34.39,;32.98,-34.41,;32.2,-33.08,;30.66,-33.1,;29.9,-34.44,;28.37,-34.46,;27.58,-33.13,;26.04,-33.15,;25.26,-31.83,;23.72,-31.84,;22.96,-33.18,;23.74,-34.51,;25.29,-34.49,;21.43,-33.2,;20.53,-34.46,;19.07,-33.99,;19.05,-32.45,;17.9,-31.44,;18.2,-29.93,;19.66,-29.44,;20.81,-30.45,;20.51,-31.96,;30.68,-35.76,;32.23,-35.75,)|
CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2ccccn2)ccc1=O
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2csc3ccccc23)ccc1=O
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccccc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cc(Cl)ccc2Cl)CC1
Fc1ccc(cc1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCC(CC2)c2nc3ccccc3s2)ccc1=O
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccccc2Cl)CC1
NC(=O)c1ccc2occ(N3CCN(CCCOc4ccc(=O)n(n4)-c4ccc(Cl)c(Cl)c4)CC3)c2c1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2Cl)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2nn(-c3ccc(Cl)c(Cl)c3)c(=O)c3CCCCc23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cc(F)cc(F)c2)CC1
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2ccccc2)ccc1=O
COc1ccc(cc1)N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2ncccn2)ccc1=O
Fc1ccccc1N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(Cc3ccccc3)CC2)ccc1=O
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2nsc3ccccc23)ccc1=O
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Cc1c(C)c(=O)n(nc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)-c1ccc(Cl)c(Cl)c1
Cc1ccc(cc1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cccc(Cl)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cccc(Cl)c2Cl)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cc(Cl)cc(Cl)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(F)c(F)c2)CC1
Fc1ccc(c(F)c1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(F)c(Cl)c2)CC1
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCC(CC2)c2c[nH]c3ccccc23)ccc1=O
Fc1ccc(F)c(c1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
Fc1ccc(cc1)C(=O)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
FC(F)(F)c1cccc(c1)N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
COc1ccccc1N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Fc1ccc(cc1)N1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1=O
Fc1ccc2c(noc2c1)C1CCN(CCCCCOc2ccc(=O)n(n2)-c2ccc(Cl)c(Cl)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2nn(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc(Cl)cc2)CC1
Clc1ccc(cc1Cl)-n1nc(OCCCN2CCN(CC2)c2ccccc2Cl)ccc1=O
Cc1cccc(N2CCN(CCCOc3ccc(=O)n(n3)-c3ccc(Cl)c(Cl)c3)CC2)c1C
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2ccc3ccccc3c2)CC1
Clc1cccc(c1)N1CCN(CCCCCn2cnc(cc2=O)-c2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCCCOc2cc(ncn2)-c2ccccc2)CC1
Cc1nc(OCCCCCN2CCN(CC2)c2ccccc2)c2ccccc2n1
Cc1nc(OCCCCCN2CCN(CC2)c2ccc(Cl)cc2)c2ccccc2n1
C(CCOc1cc(ncn1)-c1ccccc1)CCN1CCN(Cc2ccccc2)CC1
CCOc1ccccc1N1CCN(CCCCCn2c(C)nc3ccccc3c2=O)CC1
CCOc1ccccc1N1CCN(CCCCCn2cnc(cc2=O)-c2ccccc2)CC1
O=c1cc(ncn1CCCCCN1CCN(CC1)c1ccccc1)-c1ccccc1
Clc1cccc(c1)N1CCN(CCCCCOc2cc(ncn2)-c2ccccc2)CC1
Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(CC1)c1ccccc1
Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(CC1)c1cccc(Cl)c1
O=c1cc(ncn1CCCCCN1CCN(Cc2ccccc2)CC1)-c1ccccc1
C(CCOc1cc(ncn1)-c1ccccc1)CCN1CCN(CC1)c1ccccc1
Clc1ccc(cc1)N1CCN(CCCCCOc2cc(ncn2)-c2ccccc2)CC1
Cc1nc2ccccc2c(=O)n1CCCCCN1CCN(CC1)c1ccc(Cl)cc1
Clc1ccc(cc1)N1CCN(CCCCCn2cnc(cc2=O)-c2ccccc2)CC1
COc1ccccc1OCCNCC1COC2(CCCCC2)O1
COc1cccc(OC)c1OCCNCC1COC2(CCCCC2)O1
COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1
COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1
C(COc1ccccc1)NCC1CSC2(CCCCC2)S1
C(COc1ccccc1)NCC1COC2(CCCCC2)O1
C(COc1ccccc1)NCC1CSC2(CCCCC2)O1
COc1ccccc1OCCNCC1CSC2(CCCCC2)S1
COc1ccccc1OCCNCC1CSC2(CCCCC2)O1
CCCN(CCCCNC(=O)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34)C1COc2cccc(OC)c2C1
CCCN(CCCCNc1ccc([N+]([O-])=O)c2nonc12)C1COc2cccc(OC)c2C1
Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|
Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|
COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(cc2)S(C)(=O)=O)CC1
Brc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1
COc1ccc(OC)c(c1)N1CCN(CCCCNC(=O)c2ccc(Br)cc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccc(N)cc2)CC1
CN(C)CCc1c[nH]c2ccc(cc12)-n1cnnc1
CN1CCC(CC1)c1c[nH]c2ccc(cc12)-n1cnnc1
COc1cc(OC)c(cc1Cl)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1N)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1cc(OC)c(cc1NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
COc1ccc(Oc2ccccc2)cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
CN1CCN(CC1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
O=S(=O)(Nc1ccc2nccc(N3CCNCC3)c2c1)c1ccc(cc1)-c1ccccc1
C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
Clc1cccc2cc(ccc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CCc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
CS(=O)(=O)Oc1ccc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)Cc2c1 |wU:16.19,wD:13.12,(-.65,-16.53,;-.63,-15,;-2.01,-14.31,;-.33,-13.47,;.91,-14.92,;2.24,-14.15,;2.24,-12.6,;3.57,-11.83,;4.9,-12.58,;6.37,-12.09,;7.29,-13.35,;8.62,-12.58,;9.96,-13.35,;11.29,-12.56,;12.62,-13.33,;13.94,-12.56,;13.94,-11.02,;12.62,-10.25,;11.29,-11.02,;15.28,-10.27,;16.61,-11.04,;16.61,-12.58,;17.94,-10.27,;19.27,-11.04,;20.6,-10.27,;21.93,-11.04,;23.27,-10.27,;23.27,-8.73,;24.36,-7.64,;21.93,-7.96,;20.6,-8.73,;6.39,-14.61,;4.91,-14.14,;3.58,-14.92,)|
[H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2cccc3CCCC(C1)c23
COc1ccc2CCCC3N(C)CCc1c23
COc1ccc2CCCC3CN(C)Cc1c23
CN1CCc2ccc(Cl)c3CCCCC(C1)c23
Clc1ccc2CCCC3CN(CCCCN4C(=O)CC5(CCCC5)CC4=O)CCc1c23
[H][C@@]12CCCc3ccc(Cl)c(CCN(C)C1)c23
CN1CCc2cccc3CCCC(C1)c23
CCN1CCc2cccc3CCCC(C1)c23
COc1ccc2CCCC3CN(CC=C)CCc1c23
CN1CCc2cccc3[nH]cc(C1)c23
CN1CCc2cccc3CCCCC(C1)c23
CN1CCc2ccc(Cl)c3CCCC(C1)c23
CN1CCc2ccc(Cl)c3CCC(C1)c23
CCN1CCc2c(Cl)ccc3CCCC(C1)c23
[H][C@@]12CCCc3cccc(CCN(C)C1)c23
COc1ccc2CCC3CN(C)CCc1c23
[H][C@]12CCCc3cccc(CCN(C)C1)c23
CN1CCc2c(OCC=C)ccc3CCCC(C1)c23
CCCN1CCc2c(Cl)ccc3CCCC(C1)c23
CN1CCc2c(O)ccc3CCCC(C1)c23
C1CC2CNCCc3cccc(C1)c23
CN1CCc2cccc(Cl)c2CC1
COc1ccc2CCCC3CN(C)CCc1c23
CN1CCc2c(Cl)ccc3[nH]cc(C1)c23
[H][C@]12CCCc3ccc(Cl)c(CCN(C)C1)c23
[H][C@@]12CCCc3c(Cl)ccc(CCN(C)C1)c23
CN1CCc2c(Cl)ccc3CCCC(C1)c23
CN1CCc2c(Cl)ccc3CCCCC(C1)c23
Clc1cccc2CCN(CCCCN3C(=O)CC4(CCCC4)CC3=O)CCc12
CN1CCc2c3C(CCc3ccc2Cl)C1
CCCN1CCc2cccc3CCCC(C1)c23
C=CCN1CCc2cccc3CCCC(C1)c23
[H][C@]12CCCc3c(Cl)ccc(CCN(C)C1)c23
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCc2ccccc2CC1
Clc1ccc2CCCC3CN(CC=C)CCc1c23
C(Cc1ccccc1)N1CCc2cccc3CCCC(C1)c23
CN1CCc2c[nH]c3cccc(C1)c23
COc1ccc2CCCC3CCN(C)Cc1c23
CN1CCc2cccc3CCC(C1)c23
CN1CCC(CC1)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
CN1CCC(C(O)C1)c1c[nH]c2ccccc12
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[Si](C)(C)C |c:4|
COc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
CN1CCC(CC1)c1c[nH]c2ccccc12
CCN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(=O)OC |c:5|
CN1CCC2C(CCc3[nH]c4ccccc4c23)C1
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C1OCCO1 |c:4|
CCN(CC)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1ccccc1
O=Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
CN(C)CC1=CC2=CN(C3=CC=CC(O1)C23)S(=O)(=O)c1ccccc1 |c:11,t:4,6,9|
OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1ccccc1
Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1ccccc1
Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
O=S(=O)(c1cccc2ccccc12)n1cc2cc(oc3cccc1c23)C#N
CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
CCCNCCc1ccccc1O
CCCN(CCC)CCc1ccccc1O